triangle PDBeMotif: 1szd  
  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   3.5.1.
Classification gene regulation    | release date: Mon, Apr 5, 2004
Title structural basis for nicotinamide cleavage and adp-ribose tr nad+-dependent sir2 histone/protein deacetylases
Authors K.ZHAO, R.HARSHAW, R.MARMORSTEIN, X.CHAI
Method X-RAY DIFFRACTION (resolution: 1.50Å)
PDBe Citation   
Small molecules:    search APR APR binding statistics APR   search ZN ZN binding statistics ZN   search GOL GOL binding statistics GOL   search CL CL binding statistics CL
Modified residues:  search ALY ALY binding statistics ALY
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
MASMSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPL
PFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKS
KLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITTSGKHPQQPLVIVVGTSLAVYPFASLPEE
IPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTAQ
Chain B sequence:
KGGAKRHRKI
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 : NAD-DEPENDENT DEACETYLASE HST2
member of: CATH:search3.30.1600.10/search3.40.50.1220GENE3D:searchG3DSA_3.30.1600.10/searchG3DSA_3.40.50.1220PANTHER:searchPTHR11085PFAM:searchPF02146PFAMB:searchPB000038PIRSF:searchPIRSF037938PROSITE PROFILES:searchPS50305, SUPERFAMILY:searchSSF52467UniProt:searchP53686
JMol viewer RasMol script viewer  GOL 1991A  ..                                                                                      *  *  *                                                                    **                                                 ..GOL ..                                                                               
JMol viewer RasMol script viewer  GOL 1990A  ..                                                   **                                 |  |  |                                                                    ||                                                 ..GOL ..                                                                               
JMol viewer RasMol script viewer  GOL 1989A  ..                                                   ||                                 |  |  |                                                                    ||                                *                ..GOL ..                      *                                                        
JMol viewer RasMol script viewer  APR 1001A  ..                                  ***  *      **   ||             *                   |  |  |                        *                                           ||                       *        |                ..APR ..        ***  *        |          **                  ***                       
JMol viewer RasMol script viewer  ZN 701A  ..                                  |||  |      ||   ||             |                   |  |  |                        |                           *  *            ||         *  *          |        |                ..ZN ..        |||  |        |          ||                  |||                       
JMol viewer RasMol script viewer  CL 401A  ..                            *     |||  |      ||   ||             |                   |  |  |                        |                           |  |            ||         |  |          |        |        *       ..CL ..        |||  |        |          ||                  |||                       
sec str:  ............hhhhhhhhhhhhhhh....eeeee.hhhhhhhh........hhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhhhhhhhhh..eeeeee....hhhhhh..hhh.eee..eeeeeeee.....ee.hhhhhhhh.................eeeee.......hhhhhhhhhhhhhhhhhhhh.... .....eeeee.....eehhhhh.........eeee.....hhhhhh.....eee..hhhhhhhhhhhhhhhhhhhhhhhhh
sequence :  ..MASMSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITT... ..QQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTA
seq num:  ..-2        8         18        28        38        48        58        68        78        88        98        108       118       128       138       148       158       168       178       188       198         ... ..215       225       235       245       255       265       275       285      
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..      | |    | |   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  ||| ^***        ..PS00001..      | |||||| |  | || ||  |        ||||||| |||||                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..      | |    | |   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  |||   |         ..PS00004..      | |||||| |  | || ||  |        ||||||| **^*|                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..      | |    ^**   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  |||   |         ..PS00005..      | |||||| |  | || ||  |        |||||||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..      | |          |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    ^***||   |         ..PS00006..      | |||||| |  ^*** ||  |        ^***|||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      | |          |   ||  |      ^***** | | | ||| |^*****| |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..PS00008..      | ^***** |  | |  ||  |         || |||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..      | |          |   ||  |          |  | | | ||| |   | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| |||*****     |  |     | |         |  |           | |       |  |    |   ||   |         ..alphabetamotif..      |  ||||| |  | |  ||  |         |*****  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  asxmotif ..      | |          |   ||  |          |  | | ***** |   | || |||    |  *****    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..asxmotif..      |  ||||| |  | |  ||  |         || ||   |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  asxturn ..      | |          |   ||  |          |  | | ***|  |   | || |||    |  |        |   |  |  | |||           || ||||    | | ***|| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..asxturn..      |  ||||| |  | |  ||  |         || ||   |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  betaturn ..      | |          |   ||  |          **** | ****  |   | |****|    |  |        |   |  |  ****|           |****||    | | ||||****|****|     |  |     | |         |  |           | |       ****    |   ||   |         ..betaturn..      |  ||||| **** |  |****         *****   ****                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  nest ..      | |          |   ||  |             *** |  |  |   | |  ***    |  |        |   |  |  | ***           |  ****    | | ****  *** |  |     |  |     ***         |  |           ***       |  |    |   ||   |         ..nest..      |  |****      |  ||  |                 |  |                 ****   |   | 
search RasMol script viewer Motif-ligand binding stats  niche ..      ***          |   |****                 *******   | |    |    ****        |   |  ****               |   ***    ***    |    | ****     ****                 ****                     ****    |   ||   |         ..niche..      **** |        ********                 ****                        |   | 
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..                   |   |                           |   | ******                |   |                     ******            ******                                                                |   ||   |         ..schellmannloop..         | |                                                             |   | 
search RasMol script viewer Motif-ligand binding stats  stmotif ..                   |   |                           *****                       |   |                                                                                                             |   ||   |         ..stmotif..         | |                                                             |   | 
search RasMol script viewer Motif-ligand binding stats  ststaple ..                   *****                                                       *****                                                                                                             **********         ..ststaple..         | |                                                             ***** 
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                                                                                                                                    ..stturn..         ***                                                                   

chain B : HISTONE H4 PEPTIDE
member of: GENE3D:searchG3DSA_1.10.20.10PANTHER:searchPTHR10484PRINTS:searchHISTONEH4PROSITE PATTERNS:searchPS00047, SMART:searchSM00417SUPERFAMILY:searchSSF47113UniProt:searchP02309
JMol viewer RasMol script viewer  GOL 1989A  ..*       
JMol viewer RasMol script viewer  APR 1001A  ..|   * * 
sec str:  .......ee.
sequence :  ..KGGAKRHR
seq num:  ..12      
search RasMol script viewer Motif-ligand binding stats  HISTONE_H4 ..  ***** 

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 : NAD-DEPENDENT DEACETYLASE HST2
member of: CATH:search3.30.1600.10/search3.40.50.1220GENE3D:searchG3DSA_3.30.1600.10/searchG3DSA_3.40.50.1220PANTHER:searchPTHR11085PFAM:searchPF02146PFAMB:searchPB000038PIRSF:searchPIRSF037938PROSITE PROFILES:searchPS50305, SUPERFAMILY:searchSSF52467UniProt:searchP53686
JMol viewer RasMol script viewer  GOL 1991A  ..                                                                                      *  *  *                                                                    **                                                 ..GOL ..                                                                               
JMol viewer RasMol script viewer  GOL 1990A  ..                                                   **                                 |  |  |                                                                    ||                                                 ..GOL ..                                                                               
JMol viewer RasMol script viewer  GOL 1989A  ..                                                   ||                                 |  |  |                                                                    ||                                *  *             ..GOL ..                      *                                                        
JMol viewer RasMol script viewer  APR 1001A  ..                                  ***  *      **   ||             *                   |  |  |                        *                                           ||                       *        |  |             ..APR ..        ***  *        |          **                  ***                       
JMol viewer RasMol script viewer  ZN 701A  ..                                  |||  |      ||   ||             |                   |  |  |                        |                           *  *            ||         *  *          |        |  |             ..ZN ..        |||  |        |          ||                  |||                       
JMol viewer RasMol script viewer  CL 401A  ..                            *     |||  |      ||   ||             |                   |  |  |                        |                           |  |            ||         |  |          |        |  |     *       ..CL ..        |||  |        |          ||                  |||                       
sec str:  ............hhhhhhhhhhhhhhh....eeeee.hhhhhhhh........hhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhhhhhhhhh..eeeeee....hhhhhh..hhh.eee..eeeeeeee.....ee.hhhhhhhh.................eeeee.......hhhhhhhhhhhhhhhhhhhh.... .....eeeee.....eehhhhh.........eeee.....hhhhhh.....eee..hhhhhhhhhhhhhhhhhhhhhhhhh
sequence :  ..MASMSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSPGTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFHYLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCGKVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWLNDSEWLREKITT... ..QQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETVGDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTA
seq num:  ..-2        8         18        28        38        48        58        68        78        88        98        108       118       128       138       148       158       168       178       188       198         ... ..215       225       235       245       255       265       275       285      
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..      | |    | |   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  ||| ^***        ..PS00001..      | |||||| |  | || ||  |        ||||||| |||||                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  CAMP_PHOSPHO_SITE ..      | |    | |   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  |||   |         ..PS00004..      | |||||| |  | || ||  |        ||||||| **^*|                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..      | |    ^**   |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |  |||   |         ..PS00005..      | |||||| |  | || ||  |        |||||||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..      | |          |   ||  |      |   || | | | ||| ||  | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    ^***||   |         ..PS00006..      | |||||| |  ^*** ||  |        ^***|||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      | |          |   ||  |      ^***** | | | ||| |^*****| |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..PS00008..      | ^***** |  | |  ||  |         || |||  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..      | |          |   ||  |          |  | | | ||| |   | || |||    |  |   |    |   |  |  | |||           || ||||    | | ||||| |||*****     |  |     | |         |  |           | |       |  |    |   ||   |         ..alphabetamotif..      |  ||||| |  | |  ||  |         |*****  |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  asxmotif ..      | |          |   ||  |          |  | | ***** |   | || |||    |  *****    |   |  |  | |||           || ||||    | | ||||| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..asxmotif..      |  ||||| |  | |  ||  |         || ||   |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  asxturn ..      | |          |   ||  |          |  | | ***|  |   | || |||    |  |        |   |  |  | |||           || ||||    | | ***|| ||||| ||     |  |     | |         |  |           | |       |  |    |   ||   |         ..asxturn..      |  ||||| |  | |  ||  |         || ||   |  |                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  betaturn ..      | |          |   ||  |          **** | ****  |   | |****|    |  |        |   |  |  ****|           |****||    | | ||||****|****|     |  |     | |         |  |           | |       ****    |   ||   |         ..betaturn..      |  ||||| **** |  |****         *****   ****                 ||||   |   | 
search RasMol script viewer Motif-ligand binding stats  nest ..      | |          |   ||  |             *** |  |  |   | |  ***    |  |        |   |  |  | ***           |  ****    | | ****  *** |  |     |  |     ***         |  |           ***       |  |    |   ||   |         ..nest..      |  |****      |  ||  |                 |  |                 ****   |   | 
search RasMol script viewer Motif-ligand binding stats  niche ..      ***          |   |****                 *******   | |    |    ****        |   |  ****               |   ***    ***    |    | ****     ****                 ****                     ****    |   ||   |         ..niche..      **** |        ********                 ****                        |   | 
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..                   |   |                           |   | ******                |   |                     ******            ******                                                                |   ||   |         ..schellmannloop..         | |                                                             |   | 
search RasMol script viewer Motif-ligand binding stats  stmotif ..                   |   |                           *****                       |   |                                                                                                             |   ||   |         ..stmotif..         | |                                                             |   | 
search RasMol script viewer Motif-ligand binding stats  ststaple ..                   *****                                                       *****                                                                                                             **********         ..ststaple..         | |                                                             ***** 
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                                                                                                                                    ..stturn..         ***                                                                   

chain B : HISTONE H4 PEPTIDE
member of: GENE3D:searchG3DSA_1.10.20.10PANTHER:searchPTHR10484PRINTS:searchHISTONEH4PROSITE PATTERNS:searchPS00047, SMART:searchSM00417SUPERFAMILY:searchSSF47113UniProt:searchP02309
JMol viewer RasMol script viewer  GOL 1989A  ..*       
JMol viewer RasMol script viewer  APR 1001A  ..|   * * 
sec str:  .......ee.
sequence :  ..KGGAKRHR
seq num:  ..12      
search RasMol script viewer Motif-ligand binding stats  HISTONE_H4 ..  ***** 

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