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CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION

Functional Information from GO Data
ChainGOidnamespacecontents
A0009056biological_processcatabolic process
A0016853molecular_functionisomerase activity
A0042184biological_processxylene catabolic process
A0042203biological_processtoluene catabolic process
B0009056biological_processcatabolic process
B0016853molecular_functionisomerase activity
B0042184biological_processxylene catabolic process
B0042203biological_processtoluene catabolic process
C0009056biological_processcatabolic process
C0016853molecular_functionisomerase activity
C0042184biological_processxylene catabolic process
C0042203biological_processtoluene catabolic process
D0009056biological_processcatabolic process
D0016853molecular_functionisomerase activity
D0042184biological_processxylene catabolic process
D0042203biological_processtoluene catabolic process
E0009056biological_processcatabolic process
E0016853molecular_functionisomerase activity
E0042184biological_processxylene catabolic process
E0042203biological_processtoluene catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE OXP A 63
ChainResidue
APRO1
AILE2
ASER37
AHOH136
BARG39
BPHE50
BARG61

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE OXP B 63
ChainResidue
AARG61
BPRO1
BILE2
BSER37
BHOH109
BHOH126
AARG39
APHE50

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE OXP C 63
ChainResidue
CPRO1
CILE2
CSER37
DARG39
DPHE50

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE OXP D 63
ChainResidue
CARG39
CPHE50
DPRO1
DILE2
DSER37

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE OXP E 63
ChainResidue
EPRO1
EILE2
ESER37
EARG39
EPHE50
EARG61

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsACT_SITE: Proton acceptor; via imino nitrogen => ECO:0000269|PubMed:8547260
ChainResidueDetails
AILE2
BILE2
CILE2
DILE2
EILE2

Catalytic Information from CSA
site_idCSA1
Number of Residues3
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
APRO1
APHE50
BARG39

site_idCSA10
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
EPRO1
EPHE50

site_idCSA2
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
AARG39

site_idCSA3
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
CARG39

site_idCSA4
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
DARG39

site_idCSA5
Number of Residues1
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
EARG39

site_idCSA6
Number of Residues3
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
APRO1
APHE50
BARG39

site_idCSA7
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
BPRO1
BPHE50

site_idCSA8
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
CPRO1
CPHE50

site_idCSA9
Number of Residues2
Detailsa catalytic site defined by CSA, PubMed 8547259, 9778344
ChainResidueDetails
DPRO1
DPHE50

site_idMCSA1
Number of Residues4
DetailsM-CSA 61
ChainResidueDetails
AILE2hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
AVAL40electrostatic stabiliser, hydrogen bond donor
AGLY51activator, polar/non-polar interaction
AARG62electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 61
ChainResidueDetails
BILE2hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
BVAL40electrostatic stabiliser, hydrogen bond donor
BGLY51activator, polar/non-polar interaction
BARG62electrostatic stabiliser

site_idMCSA3
Number of Residues4
DetailsM-CSA 61
ChainResidueDetails
CILE2hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
CVAL40electrostatic stabiliser, hydrogen bond donor
CGLY51activator, polar/non-polar interaction
CARG62electrostatic stabiliser

site_idMCSA4
Number of Residues4
DetailsM-CSA 61
ChainResidueDetails
DILE2hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
DVAL40electrostatic stabiliser, hydrogen bond donor
DGLY51activator, polar/non-polar interaction
DARG62electrostatic stabiliser

site_idMCSA5
Number of Residues4
DetailsM-CSA 61
ChainResidueDetails
EILE2hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
EVAL40electrostatic stabiliser, hydrogen bond donor
EGLY51activator, polar/non-polar interaction
EARG62electrostatic stabiliser

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PDB entries from 2024-10-16

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