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4PYL

Humanized rat COMT in complex with sinefungin, Mg2+, and tolcapone

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
AASP184
AASP212
AASN213
ATCW303
AHOH440

site_idAC2
Number of Residues23
DetailsBINDING SITE FOR RESIDUE SFG A 302
ChainResidue
AGLY109
AALA110
ATYR111
ATYR114
ASER115
AMET132
AGLU133
AMET134
ATYR138
AGLY160
AALA161
ASER162
AGLN163
AASP184
AHIS185
ATRP186
ATCW303
AHOH409
AHOH425
AMET83
AASN84
AVAL85
AGLU107

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE TCW A 303
ChainResidue
ATRP81
AMET83
AASP184
ATRP186
ALYS187
AASP212
AASN213
APRO217
AGLU242
AMG301
ASFG302
AHOH440

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

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"22673903","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 915
ChainResidueDetails
AASP184metal ligand
ALYS187proton shuttle (general acid/base)
AASP212metal ligand
AASN213metal ligand
AGLU242electrostatic stabiliser

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PDB entries from 2025-07-23

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