triangle PDBeMotif: 4bnt  
  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   1.1.1.100
Classification oxidoreductase    | release date: Fri, May 17, 2013
Title crystal structure of 3-oxoacyl-(acyl-carrier-protein) reduct (fabg) from pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1h-benzimidazole at 2.3a resolution
Authors C.D.CUKIER, G.SCHNEIDER, R.SCHNELL, Y.LINDQVIST
Method X-RAY DIFFRACTION (resolution: 2.30Å)
PDBe Citation   
Small molecules:    search 36E 36E binding statistics 36E
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B,C,D sequence:
MHHHHHHSSGVDLGTENLYFQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAG
LVLDVSSDESVAATLEHIQQHLGQPLIVVNNAGITRDNLLVRMKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIIN
IGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEI
AKVVGFLASDGAAYVTGATVPVNGGMYMS
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 : 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
member of: GENE3D:searchG3DSA_3.40.50.720PANTHER:searchPTHR24312/searchPTHR24312_SF0PFAM:searchPF00106PRINTS:searchGDHRDH/searchSDRFAMILYPROSITE PATTERNS:searchPS00061, SUPERFAMILY:searchSSF51735TIGRFAMS:searchTIGR01830UniProt:searchO54438
JMol viewer RasMol script viewer  36E 1248B  ..                                                                                             ..         **  *                                             *                                                                                       
sec str:  ..hhhhh....eeee....hhhhhhhhhhhhhh..eeeeee.hhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhhhh....eeee.....hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee......hhhhhhhhhhhhhhhhhhhhhhhhhhhh...eeeeeeee....hhhhhh.hhhhhhhhhh........hhhhhhhhhhhhhhhhhh.....eeee.......
sequence :  ..FQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA..MKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
seq num:  ..-2        8         18        28        38        48        58        68        78        88 ..101       111       121       131       141       151       161       171       181       191       201       211       221       231       241    
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  MYRISTYL .. |  ||| |     ^*****^*****  | |||   ^*****  |       | |^*****   |  |   |                     ..            |   |   |   | ^*****|      ^*****        |   |          |     | |         | | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  ADH_SHORT .. |  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..            |   |   |   |   | | |       *************^***************     | |         | | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  asxturn .. |  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..            |   |   |   |   | | |       ||  |        |   |                | |         | | ||  |       || || |||  |  |      |  |  |  |  |    ***    
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 ..                                                                                             ..            *                           *            *   *                                                                                         

chain B : 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
member of: GENE3D:searchG3DSA_3.40.50.720PANTHER:searchPTHR24312/searchPTHR24312_SF0PFAM:searchPF00106PRINTS:searchGDHRDH/searchSDRFAMILYPROSITE PATTERNS:searchPS00061, SUPERFAMILY:searchSSF51735TIGRFAMS:searchTIGR01830UniProt:searchO54438
JMol viewer RasMol script viewer  36E 1248B  ..                                                                                           ..  *  **  *                             ..            *                                                                                       
sec str:  .........eeee....hhhhhhhhhhhhhh..eeeeee.hhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhhhh....eeee....hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee......hhhhhhhhhhhhhhhhhhhhhhhhhh...eeeeeeee....hhhhhh.hhhhhhhhhhh.......hhhhhhhhhhhhhhhhhh.....eeee.......
sequence :  ..SMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA..EWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVV..NAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
seq num:  ..0         10        20        30        40        50        60        70        80         ..105       115       125       135      ..148       158       168       178       188       198       208       218       228       238       
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  MYRISTYL ..  ||| |     ^*****^*****  | |||   ^*****  |       | |^*****   |  |   |                     ..        |   |   |   | ^*****|      ^***..      |   |          |     | |         | | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  ADH_SHORT ..  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..        |   |   |   |   | | |       ***..******^***************     | |         | | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  asxturn ..  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..        |   |   |   |   | | |       |  ..      |   |                | |         | | ||  |       || || |||  |  |      |  |  |  |  |    ***    
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 ..                                                                                           ..        *                           *  ..      *   *                                                                                         

chain C : 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
member of: GENE3D:searchG3DSA_3.40.50.720PANTHER:searchPTHR24312/searchPTHR24312_SF0PFAM:searchPF00106PRINTS:searchGDHRDH/searchSDRFAMILYPROSITE PATTERNS:searchPS00061, SUPERFAMILY:searchSSF51735TIGRFAMS:searchTIGR01830UniProt:searchO54438
JMol viewer RasMol script viewer  36E 1248C  ..                                                                                               ..   *  **  *                             ..            *                                                                                       
sec str:  .............eeee....hhhhhhhhhhhhhh..eeeeee.hhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhhhh....eeee.....hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee......hhhhhhhhhhhhhhhhhhhhhhhhhh...eeeeeeee....hhhhhh.hhhhhhhhhh........hhhhhhhhhhhhhhhhhh.....eeee.......
sequence :  ..LYFQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA..DEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVV..NAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
seq num:  ..-4        6         16        26        36        46        56        66        76        86   ..104       114       124       134       ..148       158       168       178       188       198       208       218       228       238       
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  MYRISTYL ..   | | || |     ^*****^*****  | |||   ^*****  |       | |^*****   |  |   |                     ..         |   |   |   | ^*****|      ^***..      |   |          |     | |           | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  ADH_SHORT ..   | | || |     | ||          | |||       |   |       | |||       |  |   |                     ..         |   |   |   |   | | |       ***..******^***************     | |           | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  asxturn ..   | | || |     | ||          | |||       |   |       | |||       |  |   |                     ..         |   |   |   |   | | |       |  ..      |   |                | |           | ||  |       || || |||  |  |      |  |  |  |  |    ***    
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 ..                                                                                               ..         *                           *  ..      *   *                                                                                         

chain D : 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
member of: GENE3D:searchG3DSA_3.40.50.720PANTHER:searchPTHR24312/searchPTHR24312_SF0PFAM:searchPF00106PRINTS:searchGDHRDH/searchSDRFAMILYPROSITE PATTERNS:searchPS00061, SUPERFAMILY:searchSSF51735TIGRFAMS:searchTIGR01830UniProt:searchO54438
JMol viewer RasMol script viewer  36E 1248C  ..                                                                                               ..      *  **  *                                                                                                                                     
sec str:  .............eeee....hhhhhhhhhhhhhh..eeeeee.hhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhhhh....eeee.....hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee.......hhhhhhhhhhhhhhhhhhhhhhhhhhh...eeeeeeee....hhhhhh.hhhhhhhhhh........hhhhhhhhhhhhhhhhhh.....eeee.......
sequence :  ..LYFQSMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNA..MKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARWGRIINIGSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGMYMS
seq num:  ..-4        6         16        26        36        46        56        66        76        86   ..101       111       121       131       141       151       161       171       181       191       201       211       221       231       241    
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  MYRISTYL ..   |  ||| |     ^*****^*****  | |||   ^*****  |       | |^*****   |  |   |                     ..            |   |   |   | ^*****|      ^*****        |   |          |     | |           | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  ADH_SHORT ..   |  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..            |   |   |   |   | | |       *************^***************     | |           | ||  |       || || |||  |  |      |  |  |  |  |    | |    
search RasMol script viewer Motif-ligand binding stats  asxturn ..   |  ||| |     | ||          | |||       |   |       | |||       |  |   |                     ..            |   |   |   |   | | |       |            |   |                | |           | ||  |       || || |||  |  |      |  |  |  |  |    ***    
search RasMol script viewer Motif-ligand binding stats  betaturn ..   |  |****     | ||          ****|       |   |       ****|       |  |   |                     ..            |   |   |   |   | | |       |            |   |                | |           | ||  |       ********|  ****      ****  ****  |           
search RasMol script viewer Motif-ligand binding stats  nest ..   |  ||| |     ***|            ***       |   |         ***       |  |   |                     ..            |   |   |   |   | ***       |            |   |                ***           | ||  |        |  | ***            |  |  |  |  |           
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