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5PA6

humanized rat COMT in complex with 7-(4-fluorophenyl)quinoxalin-5-ol

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 Residues22
Detailsbinding site for residue SAH A 301
ChainResidue
AMET40
AGLU90
AILE91
AGLY117
AALA118
ASER119
AGLN120
AASP141
AHIS142
ATRP143
A7JW302
AASN41
AHOH419
AHOH424
AHOH484
AVAL42
AGLY66
AALA67
ATYR68
ATYR71
ASER72
AMET89

site_idAC2
Number of Residues17
Detailsbinding site for residue 7JW A 302
ChainResidue
AMET40
AALA97
AGLN100
AGLN101
AASP141
AHIS142
ATRP143
ALYS144
AASP169
AASN170
APRO174
AGLU199
ASAH301
ANHE304
AMG306
AHOH410
AHOH535

site_idAC3
Number of Residues3
Detailsbinding site for residue CL A 303
ChainResidue
AASP44
AALA45
ATYR200

site_idAC4
Number of Residues11
Detailsbinding site for residue NHE A 304
ChainResidue
AGLU37
ATRP38
AGLN100
AILE114
ALEU115
ATYR130
AMET201
A7JW302
AHOH407
AHOH522
AHOH526

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 305
ChainResidue
APRO82
AGLY83
AARG85
ALYS111

site_idAC6
Number of Residues5
Detailsbinding site for residue MG A 306
ChainResidue
AASP141
AASP169
AASN170
A7JW302
AHOH410

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_idMCSA1
Number of Residues5
DetailsM-CSA 915
ChainResidueDetails
AASP141metal ligand
ALYS144proton shuttle (general acid/base)
AASP169metal ligand
AASN170metal ligand
AGLU199electrostatic stabiliser

247947

PDB entries from 2026-01-21

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