triangle PDBeMotif: 3kcz  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
AstexViewer TM
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Enzyme   2.4.2.30
Classification transferase    | release date: Thu, Oct 22, 2009
Title human poly(adp-ribose) polymerase 2, catalytic fragment in c with an inhibitor 3-aminobenzamide
Authors A.FLORES, A.G.THORSELL, A.JO, A.K.ROOS, A.KALLAS, A.KOTZSCH, A.M.EDWARDS, C.BOUNTRA, C.H.ARROWSMITH, C.PERSSON, H.BERGLUND, H.SCHULER, I.JOHANSSON, J.WEIGELT, L.TRESAUGUES, M.HAMMARSTROM, M.I.SIPONEN, M.MOCHE, M.WELIN, M.WISNIEWSKA, P.KRAULIS, P.NORDLUND, P.SCHUTZ, R.CO, S.FLODIN, S.GRASLUND, S.VAN DEN BERG, STRUCTURAL GENOMICS CONSORTIUM (SGC), T.K.NI, T.KARLBERG, T.KOTENYOVA, T.NYMAN
Method X-RAY DIFFRACTION (resolution: 2.00Å)
PDBe Citation   
Small molecules:    search GOL GOL binding statistics GOL   search 3AB 3AB binding statistics 3AB
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:
MHHHHHHSSGVDLGTENLYFQSMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRA
GQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRP
LDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAHPEAP
ITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTL
NGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNF
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 : POLY [ADP-RIBOSE] POLYMERASE 2
member of: CATH:search1.20.142.10/search3.90.228.10GENE3D:searchG3DSA_1.20.142.10/searchG3DSA_3.90.228.10PANTHER:searchPTHR15447PFAM:searchPF00644/searchPF02877PROSITE PROFILES:searchPS51059/searchPS51060, SUPERFAMILY:searchSSF47587/searchSSF56399UniProt:searchQ9UGN5
JMol viewer RasMol script viewer  GOL 580A  ..                                                                                                                                                                            **                                                                         **  **                                                                       ..GOL ..                          * *
JMol viewer RasMol script viewer  3AB 1A  ..                                                                                                                                                                            ||                              **                                **      *||* ||                                                                       ..3AB ..                          | |
sec str:  ..hhhhhhhhh..hhhhhhhhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh.............hhhhhhhhhhhhhhhhhhhhhhhhh........hhhhhhhhhhheeeee....hhhhhhhhhhhhhh........eeeeeeeeeeee.hhhhhh......eeeeeee.hhhhhhhhhhhh........hhhhh.....eee..hhhhhhhhhh......eeeeeeeeee...eeee.....hhhhhh....eeee.eeeee.hhhheee..eee....eee....... .....eee.eeee.hhh.eeeeeeeeeeee.
sequence :  ..LGTENLYFQSMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAHPEAPITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTLNGSTVPLGPASDTGIL... ..GYTLNYNEYIVYNPNQVRMRYLLKVQFNF
seq num:  ..224       234       244       254       264       274       284       294       304       314       324       334       344       354       364       374       384       394       404       414       424       434       444       454       464       474       484       494       504       514       524       534       544 ... ..551       561       571      
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..  |    | | | |      |  |        | |||||||| |  ||   | |   | |       | |                  | | |    | | |||| |              |  | || | |      |  | |  | ||  ||  |      |  |  || ||  |  |       | |  ||  |  |    ||    | |   | |    |  | |  |  | |    | | ||| || |   | |               |      | ||| || | |        |  |   ^***       |||| ..PS00001..       |    ||| |  ||        
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  TYR_PHOSPHO_SITE ..  |    | | | |      |  |        | |||| | | |  ||   | |   |         | |                  | | |    | |   |                 |  | || | |      |  | |  *******^  |      |  |   |  |             | |  ||  |  |    ||    | |   | |    |  | |  |  | |    |    || || |   | |               |      | ||| ||            |  |              |||| ..PS00007..       |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..***    | | | |      |  |        | |||| | | |  ||   | |   |         | |                  | | |    | |   |                 |  | || | |      |  | |    ||  |   |      |  |   |  |             | |  ||  |  |    |^***** |   | ^*****  | |  |  | ^*****    || || |   | |               |      | ^*****            |  |              |||| ..PS00008..       |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  LEUCINE_ZIPPER ..       | | | |      |  |        | |||| | | |  ||   | |   |         | |                  | | |    | |   |                 |  | |**********************|  |   |      |  |   |  |             | |  ||  |  |    |       |   | |    |  | |  |  |           || || |   | |               |      |  || |             |  |              |||| ..PS00029..       |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  CPSASE_2 ..       | | | |      |  |        | |||| | | |  ||   | |   |         | |                  | | |    | |   |                 |  | |  | |      |  | |     |  |   |      |  |   |  |             | |  ||  |  |    |       |   | |    |  | |  |  |           || || |   | |               ********  || |             |  |              |||| ..PS00867..       |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  CASPASE_HIS ..       | | | |      |  |        | |||| | | |  ||   | |   |         | |                  | | |    | |   |                 |  | |  | |      |  | |     |  |   |      |  |   |  |             | |  ||  |  |    ************^**    |  | |  |  |           || || |   | |                      |  || |             |  |              |||| ..PS01121..       |    ||| |  ||        
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  betabulge ..       | |          |  |        | |||      |  ||   | |   |         | |                    | |    | |   |                 |  | |  | |      |  | |     |  |   |      |  |   |  |             | |  ||  |  |            |   |      |  | |  |  |           || || |   | |                      |  || |             |  |               | | ..betabulge..       |     |  |  **        
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  stmotif ..                                               ***** |   |                                         *****                                                *****                                                       |   |                                |                                                                          ..stmotif..       |                     
search RasMol script viewer Motif-ligand binding stats  ststaple ..                                                     *****                                                                                                                                                          *****                                |                                                                          ..ststaple..       |                     
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                                                                                                                                                                                                                                                         *                                                                          ..REP00000..       *                     

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 B : POLY [ADP-RIBOSE] POLYMERASE 2
member of: CATH:search1.20.142.10/search3.90.228.10GENE3D:searchG3DSA_1.20.142.10/searchG3DSA_3.90.228.10PANTHER:searchPTHR15447PFAM:searchPF00644/searchPF02877PROSITE PROFILES:searchPS51059/searchPS51060, SUPERFAMILY:searchSSF47587/searchSSF56399UniProt:searchQ9UGN5
JMol viewer RasMol script viewer  GOL 580B  ..                                                                                                                                                                          **                                                                         **  **                                                                     ..GOL ..                         * *
JMol viewer RasMol script viewer  3AB 1B  ..                                                                                                                                                                          ||                              **                                **      *||* ||                                                                     ..3AB ..                         | |
sec str:  ...........hhhhhhhhhhhhhhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh.............hhhhhhhhhhhhhhhhhhhhhhhhh........hhhhhhhhhhheeeee....hhhhhhhhhhhhhh........eeeeeeeeeeee.hhhhhh......eeeeeee.hhhhhhhhhhhh........hhhhh.....eee..hhhhhhhhhh......eeeeeeeeee...eeee.....hhhhhh....eeee.eeeee.hhhheee..eee....eee..... ....eee.eeee.hhh.eeeeeeeeeeee.
sequence :  ..TENLYFQSMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAHPEAPITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTLNGSTVPLGPASDTG... ..YTLNYNEYIVYNPNQVRMRYLLKVQFNF
seq num:  ..226       236       246       256       266       276       286       296       306       316       326       336       346       356       366       376       386       396       406       416       426       436       446       456       466       476       486       496       506       516       526       536       ... ..552       562       572     
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..|        | |      |  | | |    | ||||||| || |||   | |   | |       | |                   || |      | || | |              |  |  | | |         | |  | ||  ||  |      |  |  || ||  |  |       | |  ||  |  |    ||    | |   | |    |  | |  |    |    | | ||| || |   | |               |      | ||| || | |       || ||   ^***          ..PS00001..      |    ||| |  ||        
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  TYR_PHOSPHO_SITE ..|        | |      |  | | |    | |||| |  || |||   | |   |         | |                   || |                            |  |  | | |         | |  *******^  |      |  |   |  |             | |  ||  |  |    ||    | |   | |    |  | |  |    |    |    || || |   | |               |      | ||| ||           || ||                 ..PS00007..      |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..*        | |      |  | | |    | |||| |  || |||   | |   |         | |                   || |                            |  |  | | |         | |    ||  |   |      |  |   |  |             | |  ||  |  |    |^***** |   | ^*****  | |  |    ^*****    || || |   | |               |      | ^*****           || ||                 ..PS00008..      |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  LEUCINE_ZIPPER ..         | |      |  | | |    | |||| |  || |||   | |   |         | |                   || |                            |  |  **********************|  |   |      |  |   |  |             | |  ||  |  |    |       |   | |    |  | |  |              || || |   | |               |      |  || |            || ||                 ..PS00029..      |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  CPSASE_2 ..         | |      |  | | |    | |||| |  || |||   | |   |         | |                   || |                            |  |    | |         | |     |  |   |      |  |   |  |             | |  ||  |  |    |       |   | |    |  | |  |              || || |   | |               ********  || |            || ||                 ..PS00867..      |    ||| |  ||        
search RasMol script viewer Motif-ligand binding stats  CASPASE_HIS ..         | |      |  | | |    | |||| |  || |||   | |   |         | |                   || |                            |  |    | |         | |     |  |   |      |  |   |  |             | |  ||  |  |    ************^**    |  | |  |              || || |   | |                      |  || |            || ||                 ..PS01121..      |    ||| |  ||        
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  betabulge ..                  |  |        | |||     || |||   | |   |         | |                   || |                            |  |    | |         | |     |  |   |      |  |   |  |             | |  ||  |  |            |   |      |  | |  |              || || |   | |                      |  || |            || ||                 ..betabulge..      |     |  |  **        
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