Structure of PDB 5mtp Chain D

Receptor sequence

>5mtpD (length=268) Species: 83331 (Mycobacterium tuberculosis CDC1551)

TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRIT
DRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQT
GMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDP
SRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSA
IVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLP
ATTGDIIYADGGAHTQLL

3D structure

• PDB: 5mtp Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
• Chain: D
• Resolution: 2.0 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	D	G14 I16 S20 I21 F41 D64 V65 S94 I95 G96 I122 M147 D148 F149 K165 A191 P193 I194 T196 A198	G13 I15 S19 I20 F40 D63 V64 S93 I94 G95 I121 M146 D147 F148 K164 A190 P192 I193 T195 A197
BS02	53K	D	G96 F97 F149 M155 Y158 M161 A198 M199 I202 Q214	G95 F96 F148 M154 Y157 M160 A197 M198 I201 Q213	MOAD: Ki=610nM

Gene Ontology

Molecular Function

• GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
• GO:0016491 oxidoreductase activity
• GO:0050343 trans-2-enoyl-CoA reductase (NADH) activity

Biological Process

• GO:0006633 fatty acid biosynthetic process
• GO:0046677 response to antibiotic

External links

• PDB: RCSB:5mtp, PDBe:5mtp, PDBj:5mtp
• PDBsum: 5mtp
• PubMed: 28151657
• UniProt: P9WGR0|INHA_MYCTO Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)