Structure of PDB 5yx6 Chain A Binding Site BS01

Receptor Information
>5yx6 Chain A (length=360) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPAKPLDGFRVLDFTQNVAGPLAGQVLVDLGAEVIKVEAPGGEAARQITS
VLPGRPPLATYFLPNNRGKKSVTVDLTTEQAKQQMLRLADTADVVLEAFR
PGTMEKLGLGPDDLRSRNPNLIYARLTAYGGNGPHGSRPGIDLVVAAEAG
MTTGMPTPEGKPQIIPFQLVDNASGHVLAQAVLAALLHRERNGVADVVQV
AMYDVAVGLQANQLMMHLNRTQPSDAFRTADGYIVISAYVPKHWQKLCYL
IGRPDLVEDQRFAEQRSRSINYAELTAELELALASKTATEWVQLLQANGL
MACLAHTWKQVVDTPLFAENDLTLEVGTITVIRTPARYASFRAVVTDPPP
TAGEHNAVFL
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5yx6 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5yx6 Rv3272 encodes a novel Family III CoA transferase that alters the cell wall lipid profile and protects mycobacteria from acidic and oxidative stress.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A102 P143
Binding residue
(residue number reindexed from 1)		A98 P139
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V22 D146 D175 T248
Catalytic site (residue number reindexed from 1) V18 D142 D171 T221
Enzyme Commision number 2.8.3.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:5yx6, PDBe:5yx6, PDBj:5yx6
PDBsum5yx6
PubMed30342240
UniProtP96877|COATR_MYCTU Probable fatty acyl-CoA transferase Rv3272 (Gene Name=Rv3272)

[Back to BioLiP]