triangle PDBeMotif: 3bpt  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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Enzyme   3.1.2.4
Classification hydrolase    | release date: Wed, Dec 19, 2007
Title crystal structure of human beta-hydroxyisobutyryl-coa hydrol complex with quercetin
Authors A.C.W.PIKE, A.M.EDWARDS, C.H.ARROWSMITH, C.PHILLIPS, CONSORTIUM (SGC), E.S.PILKA, F.VON DELFT, J.WEIGELT, K.GUO, O.N.F.KING, STRUCTURAL, U.OPPERMANN
Method X-RAY DIFFRACTION (resolution: 1.50Å)
PDBe Citation   
Small molecules:    search QUE QUE binding statistics QUE   search HIU HIU binding statistics HIU
Modified residues:  search MSE MSE binding statistics MSE
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chain A sequence:
MTDAAEEVLLGKKGCTGVITLNRPKFLNALTLNMIRQIYPQLKKWEQDPETFLIIIKGAGGKAFCAGGDIRVISEAEKAK
QKIAPVFFREEYMLNNAVGSCQKPYVALIHGITMGGGVGLSVHGQFRVATEKCLFAMPETAIGLFPDVGGGYFLPRLQGK
LGYFLALTGFRLKGRDVYRAGIATHFVDSEKLAMLEEDLLALKSPSKENIASVLENYHTESKIDRDKSFILEEHMDKINS
CFSANTVEEIIENLQQDGSSFALEQLKVINKMSPTSLKITLRQLMEGSSKTLQEVLTMEYRLSQACMRGHDFHEGVRAVL
IDKDQSPKWKPADLKEVTEEDLNNHFKSLGSSDLKFAENLYFQ
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-HYDROXYISOBUTYRYL-COA HYDROLASE
member of: GENE3D:searchG3DSA_1.10.12.10/searchG3DSA_3.90.226.10PANTHER:searchPTHR11941/searchPTHR11941_SF53PFAM:searchPF13766SUPERFAMILY:searchSSF52096UniProt:searchQ6NVY1
JMol viewer RasMol script viewer  HIU 502A  ..                                                                 ** *                 *  *                       **                      *    *  **                                                                                                                                                                                                                       
JMol viewer RasMol script viewer  QUE 501A  ..                        ** *                                    *** *                 |  |                       ||                     *|  * |  ||                                                                                                                                                                          **                                           
sec str:  ........eeeeee..eeeeee.hhhhh...hhhhhhhhhhhhhhhhhh....eeeeee....eee...hhhhhhhhhh....hhhhhhhhhhhhhhhhhh....eeeee..eeehhhhhh.....eeee....eee.hhhhh......hhhhhhhhh..hhhhhhhhhh..eehhhhhhh....ee.hhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhh.........hhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhh.hhhhhhhhhhh............hhhhhhhhhhhhhhh.hhhhh....hhhhh.
sequence :  ..TDAAEEVLLGKKGCTGVITLNRPKFLNALTLNMIRQIYPQLKKWEQDPETFLIIIKGAGGKAFCAGGDIRVISEAEKAKQKIAPVFFREEYMLNNAVGSCQKPYVALIHGITMGGGVGLSVHGQFRVATEKCLFAMPETAIGLFPDVGGGYFLPRLQGKLGYFLALTGFRLKGRDVYRAGIATHFVDSEKLAMLEEDLLALKSPSKENIASVLENYHTESKIDRDKSFILEEHMDKINSCFSANTVEEIIENLQQDGSSFALEQLKVINKMSPTSLKITLRQLMEGSSKTLQEVLTMEYRLSQACMRGHDFHEGVRAVLIDKDQSPKWKPADLKEVTEEDLNNHFKSLGSSDLKFAENLYFQ
seq num:  ..32        42        52        62        72        82        92        102       112       122       132       142       152       162       172       182       192       202       212       222       232       242       252       262       272       282       292       302       312       322       332       342       352       362       372       382         
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  AMIDATION ..        ^***         || |||  |   |         |  |  |         | |    |                           | | ||            | |||  || |     | |||    |  | |  | ||||||  ||  |      | |  |  | | ||||     |  |      |  |               |  | || || | || ||     |  | |   |      | |        || ||   |   |      |  ||   |                          |||||      ||| ||   | |  || |  |     |  | 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..                     || |||  |   |         |  |  |         | |    |                           | | ||            | ||***** |     | |||    |  | |  | *****|  ||  |      | |  |  | | ||||     |  |      |  |               |  | || || | *****     |  | |   |      | |        *****   |   |      |  ||   |                          |||||      ||| ||   | |  || |  |     |  | 
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  schellmannloop ..                     ******  |   |                                |                           |   |               ||   |        | | |    |       |                    | |                                                                           |   |                         |   |          |   |                                          |   |     | |             
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 ..                                                                  *                                               *                      *       *                                                                                                                                                                                                                        

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