Structure of PDB 6tgv Chain D

Receptor sequence
>6tgvD (length=374) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
SARKRIVVGVAGGIAAYKACTVVRQLTEAGHSVRVVPTESALRFVGAATF
EALSGNPVHTGVFTDVHEVQHVRIGQQADLVVIAPATADLLARAVAGRAD
DLLTATLLTARCPVLFAPAMHTEMWLHPATVDNVATLRRRGAVVLEPASD
SGPGRLPEAEEITTLAQLLLERADALPYDMAGVKALVTAGGTREPLDPVR
FIGNRSSGKQGYAVARVLAQRGADVTLIAGNTAGLIDPAGVEMVHIGSAT
QLRDAVSKHAPDANVLVMAAAVADFRPAHVAAASSIDLVRNDDVLAGAVR
ARADGQLPNMRAIVGFALFHARAKLERKGCDLLVVNAGWLLSADGTESAL
EHGSKTLMATRIVDSIAAFLKSQD
3D structure
PDB6tgv Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
ChainD
Resolution2.5 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 FMN D V63 F64 A100 V62 F63 A99
BS02 CTP D M275 A277 V279 D281 V310 L311 G331 F332 A333 M268 A270 V272 D274 V294 L295 G315 F316 A317
BS03 FMN D A12 G13 G14 I15 T39 S41 F45 T88 D90 A120 M121 A11 G12 G13 I14 T38 S40 F44 T87 D89 A119 M120
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004632 phosphopantothenate--cysteine ligase activity
GO:0004633 phosphopantothenoylcysteine decarboxylase activity
GO:0010181 FMN binding
GO:0016831 carboxy-lyase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0015937 coenzyme A biosynthetic process
GO:0015941 pantothenate catabolic process
Cellular Component
GO:0071513 phosphopantothenoylcysteine decarboxylase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6tgv, PDBe:6tgv, PDBj:6tgv
PDBsum6tgv
PubMed33420031
UniProtA0QWT2|COABC_MYCS2 Coenzyme A biosynthesis bifunctional protein CoaBC (Gene Name=coaBC)

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