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5LQK

Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-[(4-methylphenyl)methyl]benzamide

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
A72M304
AHOH408

site_idAC2
Number of Residues4
Detailsbinding site for residue CL A 302
ChainResidue
AASN41
AVAL42
ASER72
AHOH404

site_idAC3
Number of Residues3
Detailsbinding site for residue CL A 303
ChainResidue
AASP44
ATYR200
AHOH419

site_idAC4
Number of Residues23
Detailsbinding site for residue 72M A 304
ChainResidue
ATRP38
ATRP38
AMET40
AGLY66
ATYR68
AMET89
AGLU90
AILE91
AASN92
AGLY117
ASER119
AGLN120
AASP141
AHIS142
ATRP143
ALYS144
AASP169
AASN170
APRO174
ALEU198
AGLU199
AMG301
AHOH408

site_idAC5
Number of Residues5
Detailsbinding site for residue NHE A 305
ChainResidue
ALYS5
AGLU6
ATRP143
ALYS144
AASP145

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsTOPO_DOM: Cytoplasmic => ECO:0000255
ChainResidueDetails
AMET1-GLY2

site_idSWS_FT_FI2
Number of Residues16
DetailsTRANSMEM: Helical; Signal-anchor for type II membrane protein => ECO:0000255
ChainResidueDetails
AASP3-PRO19

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019, ECO:0000269|PubMed:12237326
ChainResidueDetails
AARG85
ALEU115
AASP133
AARG184

site_idSWS_FT_FI4
Number of Residues3
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019
ChainResidueDetails
AGLY107
ATHR134
ALYS162

site_idSWS_FT_FI5
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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