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4PYN

Humanized rat COMT in complex with SAH

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 Residues21
DetailsBINDING SITE FOR RESIDUE SAH A 300
ChainResidue
ALYS89
AALA161
ASER162
AGLN163
AASP184
AHIS185
ATRP186
AHOH404
AHOH551
AHOH556
AHOH624
AGLY109
AHOH643
AHOH666
AALA110
ATYR111
ATYR114
ASER115
AGLU133
AILE134
AGLY160

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 301
ChainResidue
ATHR219
APRO220
AASP221
APHE222
AHOH403

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 302
ChainResidue
AVAL226
AARG227
ASER229
APHE232
AHOH428
AHOH575

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A 303
ChainResidue
ASER101
ASER103
AHOH452
AHOH463
AHOH597

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 304
ChainResidue
AASP184
AHIS185
ATYR190
AASN213
AHOH483
AHOH586

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 Residues2
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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