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3BWY

Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor dinitrocatechol

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 Residues4
DetailsBINDING SITE FOR RESIDUE MG A 300
ChainResidue
AASP141
AASP169
AASN170
AHOH412

site_idAC2
Number of Residues19
DetailsBINDING SITE FOR RESIDUE SAM A 301
ChainResidue
ASER72
AILE89
AGLU90
AILE91
AGLY117
AALA118
ASER119
AGLN120
AASP141
AHIS142
ATRP143
AHOH402
AHOH445
AHOH465
AMET40
AGLY66
AALA67
ATYR68
ATYR71

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE DNC A 302
ChainResidue
ATRP38
AASP141
AHIS142
ATRP143
ALYS144
AASP169
AASN170
AGLU199
AHOH412
AHOH446

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD A 303
ChainResidue
AASN21
ASER24
AALA52
AGLU56
ATYR194
AHOH458

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MPD A 304
ChainResidue
ATHR4
AGLU6
AASP94
AASP136
AARG161
AHOH424
AHOH558

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD A 305
ChainResidue
AGLN7
AASP94
AALA97
ALYS162
AHOH530

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019, ECO:0000269|PubMed:18486144
ChainResidueDetails
AVAL42
ASER72
AGLU90
AASP141

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019
ChainResidueDetails
AGLU64
AILE91
ASER119

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AGLY117
ALYS144
AASN170
AGLU199

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:18486144
ChainResidueDetails
AASP169

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1vid
ChainResidueDetails
AGLU199
ALYS144

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PDB entries from 2024-11-13

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