Structure of PDB 4oxn Chain A

Receptor sequence
>4oxnA (length=261) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRIT
DRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQT
GMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDP
SRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSA
EEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDII
YADGGAHTQLL
3D structure
PDB4oxn A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
ChainA
Resolution2.2926 Å
3D
structure
Catalytic site residues are labeled in the structure
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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 A G14 I16 S20 I21 F41 L63 D64 V65 S94 I95 I122 M147 D148 F149 K165 A191 P193 I194 T196 G13 I15 S19 I20 F40 L62 D63 V64 S93 I94 I121 M146 D147 F148 K164 A190 P192 I193 T195
BS02 1S5 A G96 M98 Y158 M199 G95 M97 Y157 M198 MOAD: Ki=40nM
BindingDB: Ki=40nM
BS03 2NV A S19 H24 K233 D234 A235 S18 H23 K225 D226 A227
BS04 2NV A G221 R225 G213 R217
BS05 2NV A L4 W249 L3 W241
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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Biological Process
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Cellular Component
External links
PDB RCSB:4oxn, PDBe:4oxn, PDBj:4oxn
PDBsum4oxn
PubMed24527857
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

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