Structure of PDB 5vrl Chain A

Receptor sequence
>5vrlA (length=264) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence]
TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRIT
DRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQT
GMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDP
SRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSA
IVGGEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTG
DIIYADGGAHTQLL
3D structure
PDB5vrl Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
ChainA
Resolution2.65 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y161 K168
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 9JA A G99 D151 F152 Y161 K168 P196 I197 R198 M202 E222 G95 D147 F148 Y157 K164 P192 I193 R194 M198 E214 PDBbind-CN: -logKd/Ki=7.11,Kd=77nM
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:5vrl, PDBe:5vrl, PDBj:5vrl
PDBsum5vrl
PubMed30456352
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

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