Structure of PDB 5mtq Chain G

Receptor sequence

>5mtqG (length=264) Species: 1773 (Mycobacterium tuberculosis)

TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRIT
DRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQT
GMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDP
SRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSA
IVGGEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTG
DIIYADGGAHTQLL

3D structure

• PDB: 5mtq Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
• Chain: G
• Resolution: 2.6 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y158 K165
• Catalytic site (residue number reindexed from 1): Y157 K164
• Enzyme Commision number: 1.3.1.9: enoyl-[acyl-carrier-protein] reductase (NADH).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAD	G	G14 I15 I16 S20 I21 F41 D64 V65 S94 I95 I122 M147 D148 F149 K165 P193 I194 T196 A198	G13 I14 I15 S19 I20 F40 D63 V64 S93 I94 I121 M146 D147 F148 K164 P192 I193 T195 A197
BS02	XT3	G	G96 F97 M103 F149 M155 P156 Y158 M161 A198 M199 I202	G95 F96 M102 F148 M154 P155 Y157 M160 A197 M198 I201

Gene Ontology

Molecular Function

• GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
• GO:0005504 fatty acid binding
• GO:0016491 oxidoreductase activity
• GO:0050343 trans-2-enoyl-CoA reductase (NADH) activity
• GO:0070403 NAD+ binding

Biological Process

• GO:0006633 fatty acid biosynthetic process
• GO:0030497 fatty acid elongation
• GO:0046677 response to antibiotic
• GO:0071768 mycolic acid biosynthetic process

Cellular Component

• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:5mtq, PDBe:5mtq, PDBj:5mtq
• PDBsum: 5mtq
• PubMed: 28151657
• UniProt: P9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)