Structure of PDB 8owq Chain D

Receptor sequence
>8owqD (length=227) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKIKKGASESIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAE
TGDANGDVLFHARAKLERKGCDLLVVNAVGENRAFEVDHNDGWLLSADGT
ESALEHGSKTLMATRIVDSIAAFLKSQ
3D structure
PDB8owq Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
ChainD
Resolution2.106 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 W4X D R207 I292 K293 K294 S301 I302 R24 I109 K110 K111 S116 I117
BS02 CTP D M275 A277 V279 D281 D308 D309 V310 L311 F332 K350 R353 M92 A94 V96 D98 D123 D124 V125 L126 F147 K165 R168
External links
PDB RCSB:8owq, PDBe:8owq, PDBj:8owq
PDBsum8owq
PubMed
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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