triangle PDBeMotif: 4brk  
  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   3.6.1.5
Classification hydrolase    | release date: Tue, Jun 4, 2013
Title legionella pneumophila ntpdase1 n302y variant crystal form iii (closed) in complex with mg umppnp
Authors M.ZEBISCH, N.STRAETER, P.LAUBLE, P.SCHAEFER
Method X-RAY DIFFRACTION (resolution: 1.50Å)
PDBe Citation   
Small molecules:    search MG MG binding statistics MG   search MES MES binding statistics MES   search GOL GOL binding statistics GOL   search UNP UNP binding statistics UNP   search CL CL binding statistics CL
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:
MDTNPCEKHSCIAVIDAGSTGSRLHIYSYDTDDTNTPIHIEEIWNKKIKPGFASIQPNSVTIDAYLTMLLADAPIHNIPV
YFYATAGMRLLPQSQQKKYYDELDYWFRQQSQWQLVEAKTITGNDEALFDWLAVNYKLDTLKSVQNKSVGVMDMGGASVQ
IVFPMPKNAEISKHNQVELNIYGQNINLYVHSFLGLGQTEMSHQFLNSPSCFANDYPLPDGESGQGNAPSCKEEVTSLMN
SVHKVNQQIQPLLALNPVNEWYSIGGISYLASSQLFHFENSELTNQSLLQQGDNQICHQQWDILNGQYPDDEYLYQYCLL
SSYYYALMVDGYGINPNQTIHYIPPEQNLDWTIGVVLHRALEHHHHHH
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 : ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I
member of: PANTHER:searchPTHR11782PFAM:searchPF01150UniProt:searchQ5ZUA2
JMol viewer RasMol script viewer  MES 1399B  ..                                                                                                                                                                                                             *                         *                                                                                                                               
JMol viewer RasMol script viewer  CL 1396B  ..                                                                                      *                                                                                                                      |                         |                                                                                                                               
JMol viewer RasMol script viewer  CL 1400A  ..                                                                                      |                                                                                                                     *|          **             |                                                                                                                               
JMol viewer RasMol script viewer  CL 1399A  ..                                                    **                                |                                                                                                                     ||          ||             |                                                                                                                               
JMol viewer RasMol script viewer  GOL 1398A  ..                                                    ||                                |                                                                                                                     ||          ||             |                              *  **                                                                           *  **            
JMol viewer RasMol script viewer  MES 1397A  ..                                                    ||                                |                                                                                                                     ||          ||             |        *    *                |  ||                                                                           |  ||            
JMol viewer RasMol script viewer  MG 1396A  ..                                                    ||                                |                                                                                                                     ||          ||             |        |    |                |  ||                                                                           |  ||            
JMol viewer RasMol script viewer  UNP 1395A  ..               ***  *                               ||                            *   |                                                                 ****                                       *        ||          ||             |        |    |                ** |*                                           *                               |  ||            
sec str:  ...hhhhh.eeeeeeee....eeeeeeeeee.....eeeeeeeeeeee..hhhhh..hhhhhhhhhhhhhh.......eeeeeehhhhhh.hhhhhhhhhhhhhhhhhh....eeeeeee.hhhhhhhhhhhhhhhhhh.........eeeeee...eeeeeee.......hhh.eeeeee..eeeeeeeeeee..hhhhhhh....hhhhh..............hhhhhhhhhhhhhhh..hhhhhhhhhhhhh...eeeeeehhhhhhh.........eehhhhhhhhhhhhh...hhhhhhhhh....hhhhhhhhhhhhhhhhh..........eee.hhhhh..hhhhhhhhh..
sequence :  ..TNPCEKHSCIAVIDAGSTGSRLHIYSYDTDDTNTPIHIEEIWNKKIKPGFASIQPNSVTIDAYLTMLLADAPIHNIPVYFYATAGMRLLPQSQQKKYYDELDYWFRQQSQWQLVEAKTITGNDEALFDWLAVNYKLDTLKSVQNKSVGVMDMGGASVQIVFPMPKNAEISKHNQVELNIYGQNINLYVHSFLGLGQTEMSHQFLNSPSCFANDYPLPDGESGQGNAPSCKEEVTSLMNSVHKVNQQIQPLLALNPVNEWYSIGGISYLASSQLFHFENSELTNQSLLQQGDNQICHQQWDILNGQYPDDEYLYQYCLLSSYYYALMVDGYGINPNQTIHYIPPEQNLDWTIGVVLHRAL
seq num:  ..36        46        56        66        76        86        96        106       116       126       136       146       156       166       176       186       196       206       216       226       236       246       256       266       276       286       296       306       316       326       336       346       356       366       376       386      
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  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  betabulgeloop ..   |  |                      *****|  |           |  |       |   |  |  |              |  |               |  |           |   |           |||| |           |  |         |  |||| |    |  |          | |       |  ||  ||  |   | |         |   |      ||||                     | | || ||       |   |       |  |        |  |  |  |   |          | ||  |        | |            
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 ..                                                                                                                                                                         ***                                                                                                  ***                                                                                      

chain B : ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I
member of: PANTHER:searchPTHR11782PFAM:searchPF01150UniProt:searchQ5ZUA2
JMol viewer RasMol script viewer  GOL 1400B  ..                                                                                                                                                                                                                                                                      *  **                                                                           *  **             
JMol viewer RasMol script viewer  MES 1399B  ..                                                                                                                                                                                            * *                                                ***   *                |  ||                                                                           |  ||             
JMol viewer RasMol script viewer  MG 1398B  ..                                                                                                                                                                                            | |                                                |||   |                |  ||                                                                           |  ||             
JMol viewer RasMol script viewer  UNP 1397B  ..               ***  *                                                             **                                                                    ****                                | |    *                                           |||   |                ** |*                                           *                               |  ||             
JMol viewer RasMol script viewer  CL 1396B  ..               |||  |                                                             ||                                                                    ||||                                | |    |        *           **                     |||   |                || ||                                           |                               |  ||             
JMol viewer RasMol script viewer  CL 1400A  ..               |||  |                                                             ||  *                                 *                               ||||                                | |    |        |           ||                     |||   |                || ||                                           |                               |  ||             
JMol viewer RasMol script viewer  CL 1399A  ..               |||  |                               **    *                       ||  |                                 |                               ||||                                | |    |        |           ||                     |||   |                || ||                                           |                               |  ||             
JMol viewer RasMol script viewer  MES 1397A  ..               |||  |                               ||    |                       ||  |                                 |                               ||||                                | |    |        **          ||             *       |||   |                || ||                                           |                               |  ||             
sec str:  ...hhhhh.eeeeeeee....eeeeeeeeee.....eeeeeeeeeeee..hhhhh..hhhhhhhhhhhhhh.......eeeeeehhhhhh.hhhhhhhhhhhhhhhhhh....eeeeeee.hhhhhhhhhhhhhhhhhh.........eeeeee...eeeeeee.......hhh.eeeeee..eeeeeeeeeee..hhhhhhh....hhhhh..............hhhhhhhhhhhhhhh..hhhhhhhhhhhhh...eeeeeehhhhhhh.........eeehhhhhhhhhhhh...hhhhhhhhh....hhhhhhhhhhhhhhhhh.........eeee.hhhhh..hhhhhhhh....
sequence :  ..TNPCEKHSCIAVIDAGSTGSRLHIYSYDTDDTNTPIHIEEIWNKKIKPGFASIQPNSVTIDAYLTMLLADAPIHNIPVYFYATAGMRLLPQSQQKKYYDELDYWFRQQSQWQLVEAKTITGNDEALFDWLAVNYKLDTLKSVQNKSVGVMDMGGASVQIVFPMPKNAEISKHNQVELNIYGQNINLYVHSFLGLGQTEMSHQFLNSPSCFANDYPLPDGESGQGNAPSCKEEVTSLMNSVHKVNQQIQPLLALNPVNEWYSIGGISYLASSQLFHFENSELTNQSLLQQGDNQICHQQWDILNGQYPDDEYLYQYCLLSSYYYALMVDGYGINPNQTIHYIPPEQNLDWTIGVVLHRALE
seq num:  ..36        46        56        66        76        86        96        106       116       126       136       146       156       166       176       186       196       206       216       226       236       246       256       266       276       286       296       306       316       326       336       346       356       366       376       386       
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  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 ..   |  |                        | ||  |           |  |***    |   |  |  |              |  |               |  |           |   |        |  |||| |           |  |         |  |||| |                  | |       |  ||  ||  |   | |         |   |      ||||                       |  | ||       |   |       |  |                                | ||  |        | |     |  | |  
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