Structure of PDB 8otn Chain D

Receptor sequence

>8otnD (length=267) Species: 1773 (Mycobacterium tuberculosis)

GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITD
RLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTG
MGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPS
RAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAI
VGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPA
TTGDIIYADGGAHTQLL

3D structure

• PDB: 8otn Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
• Chain: D
• Resolution: 1.962 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	NAD	D	G14 I16 S20 I21 F41 D64 V65 S94 I95 G96 I122 M147 D148 F149 K165 A191 P193 I194 T196 A198	G12 I14 S18 I19 F39 D62 V63 S92 I93 G94 I120 M145 D146 F147 K163 A189 P191 I192 T194 A196
BS02	VZR	D	G96 F97 F149 M155 P156 Y158 M161 A198 I202 V203 L218	G94 F95 F147 M153 P154 Y156 M159 A196 I200 V201 L216

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:8otn, PDBe:8otn, PDBj:8otn
• PDBsum: 8otn
• PubMed: 37482022
• UniProt: P9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)