Structure of PDB 6thc Chain B

Receptor sequence
>6thcB (length=223) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKIKKGASEPSSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFA
AETVLFHARAKLERKGCDLLVVNAVGENRAFEVDHNDGWLLSADGTESAL
EHGSKTLMATRIVDSIAAFLKSQ
3D structure
PDB6thc Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
ChainB
Resolution2.033 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 K291 K293 K108 K110
BS02 CTP B M275 A277 V279 D281 D309 V310 L311 F332 K354 M92 A94 V96 D98 D126 V127 L128 F149 K165
BS03 N9N B L203 R207 I292 L20 R24 I109
BS04 N9N B I209 A280 F282 L304 I26 A97 F99 L121
BS05 N9N B R260 S264 D308 V310 G313 A314 R77 S81 D125 V127 G130 A131
External links
PDB RCSB:6thc, PDBe:6thc, PDBj:6thc
PDBsum6thc
PubMed33420031
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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