Structure of PDB 8owr Chain C

Receptor sequence
>8owrC (length=206) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVASSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAETGDANGDVL
FHARAKLERKGCDLLVVNADGWLLSADGTESALEHGSKTLMATRIVDSIA
AFLKSQ
3D structure
PDB8owr Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
ChainC
Resolution2.439 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 F332 K350 K354 M92 A94 V96 D98 D115 V116 L117 F138 K156 K160
BS02 W5E C S213 G215 K216 Q217 G218 F332 V360 N362 S30 G32 K33 Q34 G35 F138 V166 N168
External links
PDB RCSB:8owr, PDBe:8owr, PDBj:8owr
PDBsum8owr
PubMed
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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