triangle PDBeMotif: 4jsr  
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Enzyme   3.5.1.
Classification hydrolase/hydrolase inhibitor    | release date: Fri, Mar 22, 2013
Title crystal structure of human sirt3 with elt inhibitor 11c [n-{ carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}- ethylthiophene-2,5-dicarboxamide]
Authors H.DAI
Method X-RAY DIFFRACTION (resolution: 1.70Å)
PDBe Citation   
Small molecules:    search 1NQ 1NQ binding statistics 1NQ   search ZN ZN binding statistics ZN
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
SNASDKGKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQYDLPYPEAIFELPFFFHNPKPFFT
LAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMA
DRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWH
PRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKLDGPDK
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 PROTEIN DEACETYLASE SIRTUIN-3, MITO
member of: GENE3D:searchG3DSA_3.30.1600.10/searchG3DSA_3.40.50.1220PANTHER:searchPTHR11085PFAM:searchPF02146PFAMB:searchPB000038PIRSF:searchPIRSF037938PROSITE PROFILES:searchPS50305, SUPERFAMILY:searchSSF52467UniProt:searchQ9NTG7
JMol viewer RasMol script viewer  1NQ 402A  ..                         *       * **                      *                                               ****                *                                           *** * *                                                                                                
JMol viewer RasMol script viewer  ZN 401A  ..                         |       | ||                      |                                               ||||                |       *  *                    *  *        ||| | |                                                                                                
sec str:  .....hhhhhhhhhhh.....eeeee.hhhhhhhh.........hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhhhhhhhhh..eeeeee....hhhhhh..hhh.eee..eeeeeeee.....eee...hhhhhhh............eeeee.......hhhhhhhhhhh....eeeee.......hhhhhh........eeeee....hhhhhh....eeeee.hhhhhhhhhhhhhhhhhhhhhhhhhhhhhh
sequence :  ..GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQYDLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKL
seq num:  ..121       131       141       151       161       171       181       191       201       211       221       231       241       251       261       271       281       291       301       311       321       331       341       351       361       371       381       391 
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  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  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  schellmannloop ..          ******            ******                                                                                               | |                                                                   | |                                                                        
search RasMol script viewer Motif-ligand binding stats  stturn ..                                                                                                                                 ***                                                                   ***                                                                        

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