Structure of PDB 4bii Chain A

Receptor sequence
>4biiA (length=260) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITD
RLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTG
MGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPS
RAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTGGALGE
EAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIY
ADGGAHTQLL
3D structure
PDB4bii Pyridomycin Bridges the Nadh and Substrate Binding Pockets of the Enoyl Reductase Inha
ChainA
Resolution1.95 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 A G14 I16 S20 F41 D64 V65 S94 I95 I122 M147 D148 K165 I194 T196 G12 I14 S18 F39 D62 V63 S92 I93 I120 M145 D146 K163 I192 T194
BS02 PYW A I21 S94 I95 G96 M103 M147 D148 F149 Y158 M161 K165 P193 I19 S92 I93 G94 M101 M145 D146 F147 Y156 M159 K163 P191 BindingDB: Ki=4800nM,IC50=6000nM
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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Cellular Component
External links
PDB RCSB:4bii, PDBe:4bii, PDBj:4bii
PDBsum4bii
PubMed24292073
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

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