Structure of PDB 5cpf Chain B

Receptor sequence

>5cpfB (length=267) Species: 83331 (Mycobacterium tuberculosis CDC1551)

GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITD
RLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTG
MGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPS
RAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAI
VGGALGEEAGAQAQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPA
TTGDIIYADGGAHTQLL

3D structure

• PDB: 5cpf Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
• Chain: B
• Resolution: 3.409 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y158 K165
• Catalytic site (residue number reindexed from 1): Y156 K163
• 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	B	G14 I15 I16 S20 I21 F41 V65 S94 I95 G96 I122 M147 D148 F149 K165 A191 P193 I194 T196 A198	G12 I13 I14 S18 I19 F39 V63 S92 I93 G94 I120 M145 D146 F147 K163 A189 P191 I192 T194 A196
BS02	53K	B	G96 F97 F149 M155 P156 A157 Y158 M161 A198 M199 L218	G94 F95 F147 M153 P154 A155 Y156 M159 A196 M197 L216

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:5cpf, PDBe:5cpf, PDBj:5cpf
• PDBsum: 5cpf
• PubMed: 26147157
• UniProt: P9WGR0|INHA_MYCTO Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)