Structure of PDB 4oxk Chain B

Receptor sequence
>4oxkB (length=265) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITD
RLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTG
MGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPS
RAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAI
VGLGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATT
GDIIYADGGAHTQLL
3D structure
PDB4oxk A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
ChainB
Resolution1.8429 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) 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 I16 S20 I21 F41 D64 V65 S94 I95 G96 M147 D148 F149 K165 A191 P193 I194 T196 G12 I14 S18 I19 F39 D62 V63 S92 I93 G94 M145 D146 F147 K163 A189 P191 I192 T194
BS02 1S5 B G96 F97 M98 F149 Y158 M161 A198 M199 G94 F95 M96 F147 Y156 M159 A196 M197 MOAD: Ki=40nM
BindingDB: Ki=40nM
BS03 2NV B G221 R225 G217 R221
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:4oxk, PDBe:4oxk, PDBj:4oxk
PDBsum4oxk
PubMed24527857
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

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