Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

3R6T

Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide

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
ALU1307
AHOH634

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 302
ChainResidue
AASN84
AVAL85
ASER115

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 303
ChainResidue
AALA88
ATYR243
AASP87

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 304
ChainResidue
AILE134
AGLN163
AARG189
AHOH649
AHOH653

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 305
ChainResidue
APRO125
AGLY126
AARG128
ALYS154

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 306
ChainResidue
AASP46
ATHR47
ALYS48
AARG51
AHOH478
AHOH615

site_idAC7
Number of Residues29
DetailsBINDING SITE FOR RESIDUE LU1 A 307
ChainResidue
AMET83
AGLY109
AGLU133
AILE134
AASN135
AALA140
AGLN143
AGLN144
AGLY160
AALA161
ASER162
AGLN163
AASP184
AHIS185
ATRP186
ALYS187
AARG189
AASP212
AASN213
APRO217
ALEU241
AGLU242
AMG301
AHOH438
AHOH483
AHOH529
AHOH534
AHOH634
AHOH677

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE DTD A 308
ChainResidue
ALEU195
AGLU198
ATYR225
ASER231
APHE232
ATYR240
AHOH420
AHOH506
AHOH583
AHOH690
AHOH716
AHOH716

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE NHE A 309
ChainResidue
AGLU80
ATRP81
AALA139
AGLN143
AILE157
AMET244
AHOH424
AHOH445
AHOH447
AHOH470
AHOH471
AHOH622
AHOH633
AHOH717

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019, ECO:0000269|PubMed:12237326
ChainResidueDetails
AVAL85
ASER115
AGLU133
AASP184

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01019
ChainResidueDetails
AGLU107
AILE134
ASER162

site_idSWS_FT_FI3
Number of Residues5
DetailsBINDING:
ChainResidueDetails
AGLY160
ALYS187
AASP212
AASN213
AGLU242

site_idSWS_FT_FI4
Number of Residues3
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:22673903
ChainResidueDetails
ASER259
ASER260
ASER264

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

237735

PDB entries from 2025-06-18

PDB statisticsPDBj update infoContact PDBjnumon