Structure of PDB 6sq5 Chain A

Receptor sequence
>6sq5A (length=267) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
GLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITD
RLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTG
MGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPS
RAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAI
VGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPA
TTGDIIYADGGAHTQLL
3D structure
PDB6sq5 Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
ChainA
Resolution1.84 Å
3D
structure
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Enzymatic activity
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 D64 V65 S94 I95 I122 M147 D148 F149 K165 P193 I194 T196 G12 I14 S18 I19 F39 D62 V63 S92 I93 I120 M145 D146 F147 K163 P191 I192 T194
BS02 LRW A F149 Y158 P193 M199 I215 L218 F147 Y156 P191 M197 I213 L216 MOAD: ic50>1000uM
BindingDB: IC50=>1000000nM
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:6sq5, PDBe:6sq5, PDBj:6sq5
PDBsum6sq5
PubMed32240584
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

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