Structure of PDB 6thc Chain A

Receptor sequence
>6thcA (length=214) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence]
HHDMAGVKALVTAGGTREPLDPVRFIGNRSSGKQGYAVARVLAQRGADVT
LIAGNTAGLIDPAGVEMVHIGSATQLRDAVSKHAPDANVLVMAAAVADFR
PAHVAAAKIKKPSSIDLVRNDDVLAGAVRARADGQLPNMRAIVGFAAETG
DANGDVLFHARAKLERKGCDLLVVNAVDGWLLSADGTESALEHGSKTLMA
TRIVDSIAAFLKSQ
3D structure
PDB6thc Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
ChainA
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 A M275 A277 V279 D308 D309 V310 L311 F332 K350 K354 M92 A94 V96 D121 D122 V123 L124 F145 K163 K167
BS02 CTP A K291 K293 K108 K110
BS03 N9N A I209 F282 I26 F99
BS04 N9N A L203 R207 L20 R24
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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