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5K03

Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine

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 Residues11
Detailsbinding site for residue 6P4 A 301
ChainResidue
AARG55
AHIS142
ATRP143
AGLY66
ATYR68
AMET89
AGLU90
AILE91
AALA118
ASER119
AGLN120

site_idAC2
Number of Residues5
Detailsbinding site for residue K A 302
ChainResidue
AVAL183
AARG184
ASER186
APHE189
AHOH542

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsTRANSMEM: Helical; Signal-anchor for type II membrane protein => ECO:0000255
ChainResidueDetails
AASP3-PRO19

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019, ECO:0000269|PubMed:12237326
ChainResidueDetails
AARG85
ALEU115
AASP133
AARG184

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019
ChainResidueDetails
AGLY107
ATHR134
ALYS162

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING:
ChainResidueDetails
ALEU160
ASER187
ATYR212
AGLN213

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 915
ChainResidueDetails
AARG184metal ligand
ASER187proton shuttle (general acid/base)
ATYR212metal ligand
AGLN213metal ligand

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PDB entries from 2024-07-17

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