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4TRJ

Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints

Replaces:  2H7L
Functional Information from GO Data
ChainGOidnamespacecontents
A0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
A0006633biological_processfatty acid biosynthetic process
A0016491molecular_functionoxidoreductase activity
A0046677biological_processresponse to antibiotic
A0050343molecular_functiontrans-2-enoyl-CoA reductase (NADH) activity
Functional Information from PDB Data
site_idAC1
Number of Residues35
Detailsbinding site for residue NAD A 500
ChainResidue
AGLY14
ASER94
AILE95
AGLY96
AILE122
AMET147
AASP148
APHE149
ALYS165
AGLY192
APRO193
AILE15
AILE194
ATHR196
A665501
AHOH695
AHOH699
AHOH701
AHOH704
AHOH720
AHOH726
AHOH739
AILE16
AHOH782
AHOH784
AHOH787
AHOH788
AHOH792
AHOH809
ASER20
AILE21
APHE41
ALEU63
AASP64
AVAL65

site_idAC2
Number of Residues9
Detailsbinding site for residue 665 A 501
ChainResidue
AGLY96
AMET103
APRO156
AALA157
ATYR158
AMET199
AILE215
ANAD500
AHOH720

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P9WGR1
ChainResidueDetails
ASER20
AASP64
AILE95
ATYR158
ALYS165
AILE194

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: May act as an intermediate that passes the hydride ion from NADH to the substrate => ECO:0000250|UniProtKB:P9WGR1
ChainResidueDetails
APHE149

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Transition state stabilizer => ECO:0000250|UniProtKB:P9WGR1
ChainResidueDetails
ATYR158

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P9WGR1
ChainResidueDetails
ATHR266

226707

PDB entries from 2024-10-30

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