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2ZVJ

Crystal structures of rat Catechol-O-Methyltransferase complexed with coumarine-based inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0006584biological_processcatecholamine metabolic process
A0008171molecular_functionO-methyltransferase activity
A0016206molecular_functioncatechol O-methyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 300
ChainResidue
AASP141
AASP169
AASN170
AKOM302
AHOH371

site_idAC2
Number of Residues21
DetailsBINDING SITE FOR RESIDUE SAM A 301
ChainResidue
AALA67
ATYR68
ATYR71
ASER72
AGLU90
AMET91
ATYR95
AGLY117
AALA118
ASER119
AGLN120
AASP141
AHIS142
ATRP143
AARG146
AKOM302
AHOH312
AMET40
AASN41
AVAL42
AGLY66

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE KOM A 302
ChainResidue
AMET40
AASP141
ATRP143
ALYS144
AASP169
AASN170
APRO174
AGLU199
AMG300
ASAM301
AHOH309
AHOH371

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12237326","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues3
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues7
DetailsBinding site: {}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1vid
ChainResidueDetails
AGLU199
ALYS144

site_idMCSA1
Number of Residues5
DetailsM-CSA 915
ChainResidueDetails
AASP141metal ligand
ALYS144proton shuttle (general acid/base)
AASP169metal ligand
AASN170metal ligand
AGLU199electrostatic stabiliser

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PDB entries from 2026-01-14

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