triangle PDBeMotif: 4ksp  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
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Enzyme   2.7.11.1
Classification transferase/transferase inhibitor    | release date: Fri, May 17, 2013
Title crystal structure of human b-raf bound to a dfg-out inhibito
Authors J.K.YANO, O.MASANORI
Method X-RAY DIFFRACTION (resolution: 2.93Å)
PDBe Citation   
Small molecules:    search 1SU 1SU binding statistics 1SU
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B sequence:
GSDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTK
PQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKS
RWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVR
SNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHR
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : SERINE/THREONINE-PROTEIN KINASE B-RAF
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR23257/searchPTHR23257_SF360PFAM:searchPF07714PROSITE PATTERNS:searchPS00107/searchPS00108, PROSITE PROFILES:searchPS50011, SUPERFAMILY:searchSSF56112UniProt:searchP15056
JMol viewer RasMol script viewer  1SU 901A  ..                       *         * *                 *   *        *            * **** *                                       *        *         *** ..                                                                                                            
sec str:  ............eeeeeeeee..eeeeeee...eeeeee......hhhhhhhhhhhhhhhh.........eeeee.....eeeee...eeehhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eeee...eeee.......hhhhhhhhhhhh......hhhhhhhhhhhhhhhhhhh........hhhhhhhhhhh.....hhhhh....hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhh..
sequence :  ..DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFG..GSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLP
seq num:  ..447       457       467       477       487       497       507       517       527       537       547       557       567       577       587      ..614       624       634       644       654       664       674       684       694       704       714     
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|| |   | |  |  ||||  | |           |  ^***               |  | |  |      | |             |   |   | |  |  ||                | | | | || || || ||| |     .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..|| |   | |  |  ||||  | |           |                     |  | |  |      ^**             |   |   | |  |  ||                | | | | || || || ||^**     .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..** |   | |  |  ||||  | |           |                     |  | |  |      | |             |   |   | ^***  ||                | | | | || || || |||       .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..|| |   | |  |  ||||  | |           |                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |     *******^                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..*| |   | |  ^*****^*****           |                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP .. | |   | |     *********************                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ST .. | |   | |     || |  |                                   |  | |  |      | |             |   |   | |  |  ||                | ****^********| |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  alphabetamotif .. | |   | |     || |  |                                   |  | |  |      | |             |   |   | |  *****                | | | | || || || |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  asxmotif .. | |   | |     || |  |                                   |  | |  |      | |             |   |   | |  |  |                 | | | | || || || |||       .. ||  |      | | | |                 | |  | || *****     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  asxturn .. | |   | |     || |  |                                   |  | |  |      | |             |   |   | |  |  |                 | | | | || || || |||       .. ||  |      | | ***                 | |  | ||           ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  betabulge .. | |   | |     ** |  |                                   |  | |  |      | |             |   |   | |  |  |                 | | | | || || || |||       .. ||  |      | | | |                 | |  | ||           ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  betaturn .. | |   | |        ****                                   |  | |  |      | |             |   |   | |  ****                 | | | | ****| *****|       .. ||  |      | | | |                 | |  | ||           ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  gammaturn .. | |   | |                                               |  | |  |      | |             |   |   | |                       | | | | || ||    | |       .. ||  |      *** | |                 | |  | ||           ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  nest .. | |   ***                                               |  | |  |      | |             |   |   ***                       *** *** || ||    ***       .. ||  |          | |                 ***  ***|           ****   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  niche .. ***   ***                                               **** ****      | |             |   |                                   | |****              .. |****          ***                 | |  ****                  ********         **********                  
search RasMol script viewer Motif-ligand binding stats  stmotif ..                                                                        | |             *****                                   | |  |               .. |                                  | |                                                                     
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                        ***                                                     | |  |               .. |                                  ***                                                                     
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                                * *  *               .. *                                                                                                          

chain B : SERINE/THREONINE-PROTEIN KINASE B-RAF
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR23257/searchPTHR23257_SF360PFAM:searchPF07714PROSITE PATTERNS:searchPS00107/searchPS00108, PROSITE PROFILES:searchPS50011, SUPERFAMILY:searchSSF56112UniProt:searchP15056
JMol viewer RasMol script viewer  1SU 901B  ..               *       *         * *                 *   *        *            * * **                                         *        *         ***  ..                                                                                                          
sec str:  ............eeeeeeeee..eeeeeee...eeeeee......hhhhhhhhhhhhhhhh.........eeeee.....eeeee...eeehhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eeee...eeee........hhhhhhhhhhhh......hhhhhhhhhhhhhhhhhhh........hhhhhhhhhhh.....hhhhh....hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhh
sequence :  ..DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGL..GSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS
seq num:  ..447       457       467       477       487       497       507       517       527       537       547       557       567       577       587       ..614       624       634       644       654       664       674       684       694       704       714   
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|| |   | |  |  | ||    |           |  ^***               |  | |  |   || | |             |   |   | |  |                    | | | | || || |    | |      .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..|| |   | |  |  | ||    |           |                     |  | |  |   || ^**             |   |   | |  |                    | | | | || || |    ^**      .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..** |   | |  |  | ||    |           |                     |  | |  |   || | |             |   |   | ^***                    | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..|| |   | |  |  | ||    |           |                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     *******^             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..*| |   | |  ^*****^*****           |                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP .. | |   | |     *********************                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ST .. | |   | |                                               |  | |  |   || | |             |   |   | |                       | ****^********             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  alphabetamotif .. | |   | |                                               |  | |  |   || | |             |   |   | |                       | | | | || ||               .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  |*****    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  asxmotif .. | |   | |                                               |  | |  |   || | |             |   |   | |                       | | | | || ||               .. ||  |     |||| | |             |   | |  | || *****     ||||   |  ||  ||  |     |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  betabulge .. | |   | |                                               |  | |  |   ** | |             |   |   | |                       | | | | || ||               .. ||  |     |||| | |             |   | |  | ||           ||||   |  ||  ||  |     |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  betaturn .. | |   | |                                               |  | ****      | |             |   |   | |                       | | | | ****|               .. ||  |     |||| | |             |   | |  | ||           ||||   |  ||  |****     |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  nest .. | |   ***                                               |  | |  |      | |             |   |   ***                       *** *** || ||               .. ||  |     **** | |             |   ***  ***|           ****   |  ||  |         |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  niche .. ***   ***                                               **** ****      | |             |   |                                   | |****               .. |****      *** ***             |   | |  ****                  ********         **********                
search RasMol script viewer Motif-ligand binding stats  stmotif ..                                                                        | |             *****                                   | |  |                .. |                              |   | |                                                                   
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                                        | |                                                     | |  |                .. |                              ***** |                                                                   
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                        ***                                                     | |  |                .. |                                  ***                                                                   
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                                * *  *                .. *                                                                                                        

Assembly 2     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : SERINE/THREONINE-PROTEIN KINASE B-RAF
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR23257/searchPTHR23257_SF360PFAM:searchPF07714PROSITE PATTERNS:searchPS00107/searchPS00108, PROSITE PROFILES:searchPS50011, SUPERFAMILY:searchSSF56112UniProt:searchP15056
sec str:  ............eeeeeeeee..eeeeeee...eeeeee......hhhhhhhhhhhhhhhh.........eeeee.....eeeee...eeehhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eeee...eeee.......hhhhhhhhhhhh......hhhhhhhhhhhhhhhhhhh........hhhhhhhhhhh.....hhhhh....hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhh..
sequence :  ..DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFG..GSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLP
seq num:  ..447       457       467       477       487       497       507       517       527       537       547       557       567       577       587      ..614       624       634       644       654       664       674       684       694       704       714     
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|| |   | |  |  ||||  | |           |  ^***               |  | |  |      | |             |   |   | |  |  ||                | | | | || || || ||| |     .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..|| |   | |  |  ||||  | |           |                     |  | |  |      ^**             |   |   | |  |  ||                | | | | || || || ||^**     .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..** |   | |  |  ||||  | |           |                     |  | |  |      | |             |   |   | ^***  ||                | | | | || || || |||       .. ||  |     || | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..|| |   | |  |  ||||  | |           |                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |     *******^                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..*| |   | |  ^*****^*****           |                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP .. | |   | |     *********************                     |  | |  |      | |             |   |   | |  |  ||                | | | | || || || |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ST .. | |   | |     || |  |                                   |  | |  |      | |             |   |   | |  |  ||                | ****^********| |||       .. ||  |      | | | |                 | |  | || |   |     ||||   |  ||  |         |  | ||  |                  
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search RasMol script viewer Motif-ligand binding stats  nest .. | |   ***                                               |  | |  |      | |             |   |   ***                       *** *** || ||    ***       .. ||  |          | |                 ***  ***|           ****   |  ||  |         |  | ||  |                  
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Assembly 3     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain B : SERINE/THREONINE-PROTEIN KINASE B-RAF
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR23257/searchPTHR23257_SF360PFAM:searchPF07714PROSITE PATTERNS:searchPS00107/searchPS00108, PROSITE PROFILES:searchPS50011, SUPERFAMILY:searchSSF56112UniProt:searchP15056
JMol viewer RasMol script viewer  1SU 901B  ..               *       *         * *                 *   *        *            * ****                                         *        *         ***  ..                                                                                                          
sec str:  ............eeeeeeeee..eeeeeee...eeeeee......hhhhhhhhhhhhhhhh.........eeeee.....eeeee...eeehhhhhhh.....hhhhhhhhhhhhhhhhhhhhhh.......hhh.eeee...eeee........hhhhhhhhhhhh......hhhhhhhhhhhhhhhhhhh........hhhhhhhhhhh.....hhhhh....hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhhh
sequence :  ..DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGL..GSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS
seq num:  ..447       457       467       477       487       497       507       517       527       537       547       557       567       577       587       ..614       624       634       644       654       664       674       684       694       704       714   
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|| |   | |  |  | ||    |           |  ^***               |  | |  |   || | |             |   |   | |  |                    | | | | || || |    | |      .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..|| |   | |  |  | ||    |           |                     |  | |  |   || ^**             |   |   | |  |                    | | | | || || |    ^**      .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..** |   | |  |  | ||    |           |                     |  | |  |   || | |             |   |   | ^***                    | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..|| |   | |  |  | ||    |           |                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     *******^             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..*| |   | |  ^*****^*****           |                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP .. | |   | |     *********************                     |  | |  |   || | |             |   |   | |                       | | | | || || |             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ST .. | |   | |                                               |  | |  |   || | |             |   |   | |                       | ****^********             .. ||  |     |||| | |             |   | |  | || |   |     ||||   |  ||  ||  ||    |  | ||  |                
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