Structure of PDB 4bqp Chain E

Receptor sequence
>4bqpE (length=258) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLIQRITDR
LPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGM
GINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSR
AMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTGALGEEA
GAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYAD
GGAHTQLL
3D structure
PDB4bqp Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
ChainE
Resolution1.89 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) Y158 K165
Catalytic site (residue number reindexed from 1) Y155 K162
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 E G14 I16 S20 I21 F41 D64 V65 S94 I95 I122 M147 D148 F149 K165 P193 I194 G13 I15 S19 I20 F40 D61 V62 S91 I92 I119 M144 D145 F146 K162 P190 I191
BS02 VMY E F97 M98 Q100 M103 G104 M161 F94 M95 Q97 M100 G101 M158 MOAD: Kd=13.7nM
BindingDB: Kd=12nM,IC50=3.0nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4bqp, PDBe:4bqp, PDBj:4bqp
PDBsum4bqp
PubMed24107081
UniProtP9WGR1|INHA_MYCTU Enoyl-[acyl-carrier-protein] reductase [NADH] (Gene Name=inhA)

[Back to BioLiP]