Structure of PDB 8owr Chain A

Receptor sequence
>8owrA (length=212) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKISSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAETGDAN
GDVLFHARAKLERKGCDLLVVNAVNDGWLLSADGTESALEHGSKTLMATR
IVDSIAAFLKSQ
3D structure
PDB8owr Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
ChainA
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 A M275 A277 V279 D281 D308 D309 V310 L311 G331 F332 K354 M92 A94 V96 D98 D118 D119 V120 L121 G141 F142 K164
BS02 W5E A S213 G215 Q217 F332 A333 V360 N362 S30 G32 Q34 F142 A143 V170 N172
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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