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5PA3

humanized COMT in complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one

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 Residues23
Detailsbinding site for residue SAH A 301
ChainResidue
AMET40
AGLU90
AILE91
AASN92
AGLY117
AALA118
ASER119
AGLN120
AASP141
AHIS142
A7JV302
AASN41
AHOH446
AHOH448
AHOH542
AHOH550
AVAL42
AGLY66
AALA67
ATYR68
ATYR71
ASER72
AMET89

site_idAC2
Number of Residues18
Detailsbinding site for residue 7JV A 302
ChainResidue
ATRP38
AMET40
AALA97
AGLN101
AASN104
AASP141
AHIS142
ATRP143
AASP169
AASN170
APRO174
AGLU199
ASAH301
AMG307
AHOH407
AHOH461
AHOH511
AHOH518

site_idAC3
Number of Residues4
Detailsbinding site for residue CL A 303
ChainResidue
AASP44
AALA45
ATYR200
AHOH590

site_idAC4
Number of Residues7
Detailsbinding site for residue D1D A 304
ChainResidue
ATRP38
AALA97
AGLN100
AASN116
AMET201
AHOH421
AHOH467

site_idAC5
Number of Residues6
Detailsbinding site for residue K A 305
ChainResidue
AVAL183
AARG184
ASER186
APHE189
AHOH564
AHOH577

site_idAC6
Number of Residues4
Detailsbinding site for residue K A 306
ChainResidue
ASER58
ASER60
AHOH500
AHOH552

site_idAC7
Number of Residues5
Detailsbinding site for residue MG A 307
ChainResidue
AASP141
AASP169
AASN170
A7JV302
AHOH461

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 2025-08-27

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