Structure of PDB 6th2 Chain B

Receptor sequence
>6th2B (length=229) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKIKKGASEPSSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFA
AETGDANGDVLFHARAKLERKGCDLLVVNAVGENRAFEVDHNDGWLLSAD
GTESALEHGSKTLMATRIVDSIAAFLKSQ
3D structure
PDB6th2 Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
ChainB
Resolution1.844 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N211
Catalytic site (residue number reindexed from 1) N28
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 B K293 K294 K110 K111
BS02 CTP B M275 A277 V279 D281 D309 V310 L311 F332 K350 K354 M92 A94 V96 D98 D126 V127 L128 F149 K167 K171
External links
PDB RCSB:6th2, PDBe:6th2, PDBj:6th2
PDBsum6th2
PubMed33420031
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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