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5P9Z

humanized rat COMT in complex with 6-(4-fluorophenyl)quinazolin-8-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 Residues5
Detailsbinding site for residue MG A 301
ChainResidue
AASP141
AASP169
AASN170
A7JQ305
AHOH429

site_idAC2
Number of Residues5
Detailsbinding site for residue CL A 302
ChainResidue
AHOH580
AASP44
AALA45
ATYR200
AHOH540

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 303
ChainResidue
APRO82
AGLY83
AARG85
ALYS111
ALYS128

site_idAC4
Number of Residues20
Detailsbinding site for residue SAH A 304
ChainResidue
AMET40
AVAL42
AGLY66
AALA67
ATYR68
ATYR71
ASER72
AGLU90
AILE91
AGLY117
AALA118
ASER119
AGLN120
AASP141
AHIS142
ATRP143
A7JQ305
AHOH472
AHOH480
AHOH502

site_idAC5
Number of Residues15
Detailsbinding site for residue 7JQ A 305
ChainResidue
AMET40
AALA97
AGLN100
AGLN101
AASP141
AHIS142
ATRP143
ALYS144
AASP169
AASN170
AGLU199
AMG301
ASAH304
AD1D306
AHOH429

site_idAC6
Number of Residues8
Detailsbinding site for residue D1D A 306
ChainResidue
ATRP38
AALA97
AGLN100
AILE114
AMET201
A7JQ305
AHOH412
AHOH452

site_idAC7
Number of Residues1
Detailsbinding site for residue CL A 307
ChainResidue
ALYS144

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

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PDB entries from 2025-07-23

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