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5OIC

InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004318molecular_functionenoyl-[acyl-carrier-protein] reductase (NADH) activity
A0005504molecular_functionfatty acid binding
A0005886cellular_componentplasma membrane
A0006629biological_processlipid metabolic process
A0006631biological_processfatty acid metabolic process
A0006633biological_processfatty acid biosynthetic process
A0009274cellular_componentpeptidoglycan-based cell wall
A0016491molecular_functionoxidoreductase activity
A0030497biological_processfatty acid elongation
A0046677biological_processresponse to antibiotic
A0050343molecular_functiontrans-2-enoyl-CoA reductase (NADH) activity
A0070403molecular_functionNAD+ binding
A0071768biological_processmycolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues34
Detailsbinding site for residue NAD A 301
ChainResidue
AGLY14
ASER94
AILE95
AGLY96
AILE122
AMET147
AASP148
APHE149
ALYS165
AGLY192
APRO193
AILE15
AILE194
ATHR196
A9VQ302
AHOH408
AHOH415
AHOH417
AHOH423
AHOH439
AHOH484
AHOH527
AILE16
AHOH553
AHOH563
AHOH593
AHOH607
AHOH609
ASER20
AILE21
APHE41
ALEU63
AASP64
AVAL65

site_idAC2
Number of Residues10
Detailsbinding site for residue 9VQ A 302
ChainResidue
AGLY96
APHE97
AMET98
AMET103
APHE149
ATYR158
AMET161
AMET199
ANAD301
AHOH457

site_idAC3
Number of Residues7
Detailsbinding site for residue ETX A 303
ChainResidue
ASER19
AHIS24
AILE194
ALYS233
AASP234
AALA235
ATHR236

site_idAC4
Number of Residues6
Detailsbinding site for residue ETX A 304
ChainResidue
AASP150
ASER152
ASER152
AARG153
ATYR259
AHIS265

site_idAC5
Number of Residues6
Detailsbinding site for residue ETX A 305
ChainResidue
ASER19
ASER19
AARG195
AARG195
ASER200
AHOH555

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:10336454, ECO:0000269|PubMed:16647717, ECO:0000269|PubMed:7886450, ECO:0007744|PDB:1BVR, ECO:0007744|PDB:1ENY, ECO:0007744|PDB:2AQ8
ChainResidueDetails
ASER20
AASP64
AILE95
ALYS165
AILE194

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10336454
ChainResidueDetails
ATYR158

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: May act as an intermediate that passes the hydride ion from NADH to the substrate => ECO:0000305|PubMed:10336454
ChainResidueDetails
APHE149

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Transition state stabilizer => ECO:0000305|PubMed:10521269
ChainResidueDetails
ATYR158

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphothreonine => ECO:0000269|PubMed:20864541, ECO:0000269|PubMed:21143326
ChainResidueDetails
ATHR266

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PDB entries from 2024-04-24

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