triangle PDBeMotif: 1mb9  
  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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Classification hydrolase    | release date: Fri, Aug 2, 2002
Title beta-lactam synthetase complexed with atp
Authors A.C.ROSENZWEIG, B.O.BACHMANN, C.A.TOWNSEND, M.T.MILLER
Method X-RAY DIFFRACTION (resolution: 2.11Å)
PDBe Citation   
Small molecules:    search MG MG binding statistics MG   search ATP ATP binding statistics ATP   search AMP AMP binding statistics AMP   search POP POP binding statistics POP
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:
MGAPVLPAAFGFLASARTGGGRAPGPVFATRGSHTDIDTPQGERSLAATLVHAPSVAPDRAVARSLTGAPTTAVLAGEIY
NRDELLSVLPAGPAPEGDAELVLRLLERYDLHAFRLVNGRFATVVRTGDRVLLATDHAGSVPLYTCVAPGEVRASTEAKA
LAAHRDPKGFPLADARRVAGLTGVYQVPAGAVMDIDLGSGTAVTHRTWTPGLSRRILPEGEAVAAVRAALEKAVAQRVTP
GDTPLVVLSGGIDSSGVAACAHRAAGELDTVSMGTDTSNEFREARAVVDHLRTRHREITIPTTELLAQLPYAVWASESVD
PDIIEYLLPLTALYRALDGPERRILTGYGADIPLGGMHREDRLPALDTVLAHDMATFDGLNEMSPVLSTLAGHWTTHPYW
DREVLDLLVSLEAGLKRRHGRDKWVLRAAMADALPAETVNRPKLGVHEGSGTTSSFSRLLLDHGVAEDRVHEAKRQVVRE
LFDLTVGGGRHPSEVDTDDVVRSVADRTARGAA
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 : BETA-LACTAM SYNTHETASE
member of: CATH:search3.40.50.620/search3.60.20.10GENE3D:searchG3DSA_3.40.50.620/searchG3DSA_3.60.20.10PFAM:searchPF00733/searchPF13537PFAMB:searchPB008185SUPERFAMILY:searchSSF52402/searchSSF56235UniProt:searchP0DJQ7
JMol viewer RasMol script viewer  ATP 701A  ..                ..                                                                                                                                             ..ATP ..                                                                             *** ****                ***                                                        *  *             **  *                                                                       *                   *..ATP ..                                                      
JMol viewer RasMol script viewer  AMP 706A  ..                ..                                                                                                                                             ..AMP ..                                                                             **| |||*                ***                                                    *   *  |             **  |                                                                       |                   |..AMP ..                                                      
JMol viewer RasMol script viewer  POP 705A  ..                ..                                                                                                                                             ..POP ..                                                                             ||* *|**                |||                                                    |   |  |             ||  *                                                                       *                   *..POP ..                                                      
JMol viewer RasMol script viewer  MG 604A  ..                ..                                                                                                                                             ..MG ..                                                                             ||| ||*|                |||                                                    |   |  |             ||  *                                                                       |                   |..MG ..                                                      
JMol viewer RasMol script viewer  MG 603A  ..                ..                                                                                                                                             ..MG ..                                                                             ||| ||||                |||                                                    |   |  |             ||  |                                                                       |                   |..MG ..                                                      
sec str:  .........eeeeeee..............eeee....hhhh.eeeeeee....hhhh.eeee.....eeeeeeeee.hhhhhhhh........hhhhhhhhhhhhhhhhhhhh..eeeeeeeee..eeeeee........eeeee..eeeee.hhhhh..... ........ee.......ee....eeeeee.....eeeee...........hhhhhhhhhhhhhhhhhhh........eee...hhhhhhhhhhhhhhhh..eeeeeee....hhhhhhhhhhhhh.eeeeeeehhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhh.....eee....hhhhhh.......hhhhhhhhhhhhhh........hhhhhh...eeehhhhhhhhhhhhhhhhhhhh......hhhhhhhh....hhhhhhh..... ..hhhhhhhhh......hhhhhhhhhhhhhhhhhh....hhhhhhhhhhhhhhhh.
sequence :  ..PVLPAAFGFLASARTG..APGPVFATRGSHTDIDTPQGERSLAATLVHAPSVAPDRAVARSLTGAPTTAVLAGEIYNRDELLSVLPAGPAPEGDAELVLRLLERYDLHAFRLVNGRFATVVRTGDRVLLATDHAGSVPLYTCVAPGEVRASTEAKALAA... ..FPLADARRVAGLTGVYQVPAGAVMDIDLGSGTAVTHRTWTPGLSRRILPEGEAVAAVRAALEKAVAQRVTPGDTPLVVLSGGIDSSGVAACAHRAAGELDTVSMGTDTSNEFREARAVVDHLRTRHREITIPTTELLAQLPYAVWASESVDPDIIEYLLPLTALYRALDGPERRILTGYGADIPLGGMHREDRLPALDTVLAHDMATFDGLNEMSPVLSTLAGHWTTHPYWDREVLDLLVSLEAGLKRRHGRDKWVLRAAMADALPAETVNRPK... ..SSFSRLLLDHGVAEDRVHEAKRQVVRELFDLTVGGGRHPSEVDTDDVVRSVADR
seq num:  ..4         14    ..23        33        43        53        63        73        83        93        103       113       123       133       143       153        ... ..170       180       190       200       210       220       230       240       250       260       270       280       290       300       310       320       330       340       350       360       370       380       390       400       410       420       430       440 ... ..454       464       474       484       494       504 
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..           ^**  ..     | |  |  |    |  |        |  |  |  |  | ||    |            |  |  | |               | |||| |                  | ||||      |  |      |  || ..PS00005..  |  |     |  |           | || | |^**    | ^**                  || |||  |      |||   ||    |   | |      |  | ||          | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  || |  ..PS00005..| | | |  | |               |   |     ||||||      |  | 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..                ..     | |  ^***    |  |        |  |  |  |  | ||    |            |  |  | |               | |||| |                  | ||||      |  |      |  || ..PS00006..  |  |     |  |           | || | |       | |                    || ||^***      |||   ||    |   | |      |  ^***          | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  || |  ..PS00006..| | | |  | |               |   |     ||^***      ^*** 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..                ..     | |          |  |        |  |  |  |  | |^*****            |  |  | |               | |||| |                  | ||||      |  |      |  || ..PS00008..  |  |     |  |           | ^*****       | |                    || |||  |      |^*****^*****   | |      ^*****           | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  || |  ..PS00008..*** | |  | |               |   |     || ||            
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..                ..     | |          |  |        |  |  |  |  | |                  |  |  | |               | |||| |                  | ||||      |  |      ***** ..alphabetamotif..  |  |     |  |           |  | |         | |                    *****|  |      | |             | |                       | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||*****|  | | |     |  |***** |  ..alphabetamotif..|   | |  | |               |   |     || ||            
search RasMol script viewer Motif-ligand binding stats  asxmotif ..                ..     | |          |  |        |  |  |  |  | |                  |  |  | |               | |||| |                  *****|      |  |      |  |  ..asxmotif..  |  |     |  |           |  | |         | |                    || |||  |      | |             | |                       | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  |  |  ..asxmotif..|   | |  | |               |   |     || ||            
search RasMol script viewer Motif-ligand binding stats  asxturn ..                ..     | |          |  |        |  |  |  |  | |                  |  |  | |               | |||| |                  ***|||      |  |      |  |  ..asxturn..  |  |     |  |           |  | |         | |                    || |||  |      | |             | |                       | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  |  |  ..asxturn..|   | |  | |               |   |     || ||            
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..                ..     | |          |  |        |  |  |  |  | |                  |  |  | |               | |||| |                  | ||||      |  |      |  |  ..betabulgeloop..  |  |     |  |           ******         | |                    || |||  |      | |             | |                       | |           |  |   |   | | |             |  |        | || |  ||||| | |         ||  |||||||||   || |||    |  |      |  ||||||||  | | |     |  ||  |  |  ..betabulgeloop..|   | |  | |               |   |     || ||            
search RasMol script viewer Motif-ligand binding stats  betaturn ..                ..     | |          ****        ****  |  |  | |                  |  |  | |               ****** |                  ****||      |  |      ****  ..betaturn..  |  |     |  |              | |         | |                    ****|****      | |             | |                       | |           ****   |   | | |             |  |        | || |  ||||| | |         |********||||   *****|    |  |      |  |*****|**** | |     |  |****  |  ..betaturn..|   | **** |               |   |     ****|            
search RasMol script viewer Motif-ligand binding stats  gammaturn ..                ..     | |                      |  |  |  |  | |                  |  |  ***                   |  |                    ||||      |  |            ..gammaturn..  |  |     |  |              | |         | |                     |  ||  |      | |             | |                       | |                  |   | | |             |  |        | || |  ||||| | |         |   | |||||||      | |    |  |      |  |  |  |     | |     |  |   |  |  ..gammaturn..|   |    | |               |   |      |  |            
search RasMol script viewer Motif-ligand binding stats  nest ..                ..     | |                      |  |  |  |  | |                  |  |                        |  |                    ****      |  |            ..nest..  |  |     |  |              ***         | |                     |  ||  |      ***             ***                       ***                  |   *** |             |  |        | |***  ****| | |         |   | |*****|      ***    |  |      |  |  |  |     ***     |  |   |  |  ..nest..|   |    ***               |   |      |  |            
search RasMol script viewer Motif-ligand binding stats  niche ..                ..     ***                      ****  ****  ***                  ****                        ****                              ****            ..niche..  ****     ****                          ***                     ********                                                                     |   | ***             ****        ***      **** ***         |   ***  ****             ****      ****  ****             ****   ****  ..niche..|   |                      |   |      ****            
search RasMol script viewer Motif-ligand binding stats  stmotif ..                ..                                          | |                                                                                                ..stmotif..                                                                                                                                              |   | | |                                                   |   |                                                                   ..stmotif..*****                      |   |                      
search RasMol script viewer Motif-ligand binding stats  ststaple ..                ..                                          | |                                                                                                ..ststaple..                                                                                                                                              ***** | |                                                   *****                                                                   ..ststaple..                           *****                      
search RasMol script viewer Motif-ligand binding stats  stturn ..                ..                                          ***                                                                                                ..stturn..                                                                                                                                                  *****                                                                                                                           ..stturn..                                                      

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 : BETA-LACTAM SYNTHETASE
member of: CATH:search3.40.50.620/search3.60.20.10GENE3D:searchG3DSA_3.40.50.620/searchG3DSA_3.60.20.10PFAM:searchPF00733/searchPF13537PFAMB:searchPB008185SUPERFAMILY:searchSSF52402/searchSSF56235UniProt:searchP0DJQ7
JMol viewer RasMol script viewer  ATP 702B  ..                  ..                                                                                                                                                                                                                               *** * **                ***                                                        *  *            ***  *                                                                       *                   *  ..ATP ..                                                         
JMol viewer RasMol script viewer  MG 602B  ..                  ..                                                                                                                                                                                                                               ||| | ||                |||                                                        |  |            |||  |                                                                       |                   |  ..MG ..                                                         
JMol viewer RasMol script viewer  MG 601B  ..                  ..                                                                                                                                                                                                                               ||| | *|                |||                                                        |  |            |||  *                                                                       |                   |  ..MG ..                                                         
sec str:  ..........eeeeeee..............eeee....hhhhh.eeeeee.....hhh.eee......eeeeeeeee.hhhhhhh.........hhhhhhhhhhhhhhhhhhhh..eeeeeeeee..eeeeee........eeeee..eeeee.hhhhhhh............ee.......ee....eeeeee....eeeeee...........hhhhhhhhhhhhhhhhhhhh.......eee...hhhhhhhhhhhhhhhh..eeeeeee....hhhhhhhhhhhhh.eeeeeeehhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhh.....eee....hhhhhh.......hhhhhhhhhhhhhhh.......hhhhhh...eeehhhhhhhhhhhhhhhhhhh.ee..eehhhhhhhhh...hhhhhhh....... ....hhhhhhhhhh..hhhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhhhhhhhhh
sequence :  ..APVLPAAFGFLASARTGG..PGPVFATRGSHTDIDTPQGERSLAATLVHAPSVAPDRAVARSLTGAPTTAVLAGEIYNRDELLSVLPAGPAPEGDAELVLRLLERYDLHAFRLVNGRFATVVRTGDRVLLATDHAGSVPLYTCVAPGEVRASTEAKALAAHRDPKGFPLADARRVAGLTGVYQVPAGAVMDIDLGSGTAVTHRTWTPGLSRRILPEGEAVAAVRAALEKAVAQRVTPGDTPLVVLSGGIDSSGVAACAHRAAGELDTVSMGTDTSNEFREARAVVDHLRTRHREITIPTTELLAQLPYAVWASESVDPDIIEYLLPLTALYRALDGPERRILTGYGADIPLGGMHREDRLPALDTVLAHDMATFDGLNEMSPVLSTLAGHWTTHPYWDREVLDLLVSLEAGLKRRHGRDKWVLRAAMADALPAETVNRPKLG... ..TTSSFSRLLLDHGVAEDRVHEAKRQVVRELFDLTVGGGRHPSEVDTDDVVRSVADRT
seq num:  ..3         13      ..24        34        44        54        64        74        84        94        104       114       124       134       144       154       164       174       184       194       204       214       224       234       244       254       264       274       284       294       304       314       324       334       344       354       364       374       384       394       404       414       424       434         ... ..452       462       472       482       492       502    
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..        || |||               |  ||  | | |  |   |   |     
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