Structure of PDB 8owp Chain A

Receptor sequence

>8owpA (length=214) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]

HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKIKEPSSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAETG
DANGDVLFHARAKLERKGCDLLVVNANDGWLLSADGTESALEHGSKTLMA
TRIVDSIAAFLKSQ

3D structure

PDB

8owp Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.

Chain

Resolution

1.993 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)
BS01	CTP	A	M275 A277 V279 D281 D308 D309 V310 L311 F332 K350 K354	M92 A94 V96 D98 D121 D122 V123 L124 F145 K163 K167
BS02	W52	A	S213 G215 K216 Q217 F332 A333 V360 N362 L389	S30 G32 K33 Q34 F145 A146 V173 N175 L191
BS03	W52	A	T199 G210 N211 A278 A280 D281 F282 L304	T16 G27 N28 A95 A97 D98 F99 L117

External links

PDB	RCSB:8owp, PDBe:8owp, PDBj:8owp
PDBsum	8owp
PubMed
UniProt	A0QWT2\|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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