Structure of PDB 6d8i Chain A Binding Site BS01

Receptor Information
>6d8i Chain A (length=79) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RAELTVPEMRQWLRNWVGKAVGKAPDSIDESVPMVELGLSSRDAVAMAAD
IEDLTGVTLSVAVAFAHPTIESLATRIIE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6d8i Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6d8i Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D43 S45
Binding residue
(residue number reindexed from 1)		D29 S31
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0031177 phosphopantetheine binding

View graph for
Molecular Function
External links
PDB RCSB:6d8i, PDBe:6d8i, PDBj:6d8i
PDBsum6d8i
PubMed
UniProtI6X8D2|PKS13_MYCTU Polyketide synthase Pks13 (Gene Name=pks13)

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