Structure of PDB 8owp Chain C

Receptor sequence
>8owpC (length=208) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
HDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVTL
IAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFRP
AHVAAAEPSSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAETGDANG
DVLFHARAKLERKGCDLLVVNADGWLLSADGTESALEHGSKTLMATRIVD
SIAAFLKS
3D structure
PDB8owp Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
ChainC
Resolution1.993 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 4.1.1.36: phosphopantothenoylcysteine decarboxylase.
6.3.2.5: phosphopantothenate--cysteine ligase (CTP).
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 CTP C M275 A277 V279 D281 D309 V310 L311 G331 F332 K350 K354 M91 A93 V95 D97 D118 V119 L120 G140 F141 K159 K163
BS02 W52 C S213 S214 G215 K216 Q217 A277 A278 F332 A333 V360 N362 S29 S30 G31 K32 Q33 A93 A94 F141 A142 V169 N171
External links
PDB RCSB:8owp, PDBe:8owp, PDBj:8owp
PDBsum8owp
PubMed
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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