Structure of PDB 5oit Chain D

Receptor sequence

>5oitD (length=268) Species: 83332 (Mycobacterium tuberculosis H37Rv)

AGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRIT
DRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQT
GMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDP
SRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSA
IVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLP
ATTGDIIYADGGAHTQLL

3D structure

• PDB: 5oit Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
• Chain: D
• Resolution: 2.58 Å

Enzymatic activity

• 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	9WH	D	G96 F97 M98 M103 F149 A157 Y158 M161 A198 M199 A206 L207 I215	G95 F96 M97 M102 F148 A156 Y157 M160 A197 M198 A205 L206 I214
BS02	NAD	D	G14 I16 S20 I21 F41 D64 V65 S94 I95 G96 I122 M147 D148 F149 K165 P193 I194 T196	G13 I15 S19 I20 F40 D63 V64 S93 I94 G95 I121 M146 D147 F148 K164 P192 I193 T195

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:5oit, PDBe:5oit, PDBj:5oit
• PDBsum: 5oit
• PubMed: 29399991
• UniProt: P9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)