Structure of PDB 4tv5 Chain A Binding Site BS02

Receptor Information
>4tv5 Chain A (length=245) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLSLKHRLNNGDSVYGIFNSIPDPLMIEVIAASGYDFVVIDTEHVAINDE
TLAHLIRAAEAAHIIPIVRVTAVIDRDIIKVLDMGARGIIVPHVKDRETV
EHIVKLSRYYPQGLRSLNPLLDAMEMANEHIMVIAMIEDVEGVMAIDDIA
QVEGLDMIVEGAADLSQSLGIPWQTRDDQVTSHVQHIFEVVNAHGKHFCA
LPREDEDIAKWQAQGVQTFILGDDRGKIYRHLSASLATSKQKGDE
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 chain4tv5 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tv5 SbnG, a Citrate Synthase in Staphylococcus aureus: A NEW FOLD ON AN OLD ENZYME.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S6 L7 R90 H143
Binding residue
(residue number reindexed from 1)		S3 L4 R87 H130
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H47 R72 D86 E151 D177
Catalytic site (residue number reindexed from 1) H44 R69 D83 E138 D164
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4tv5, PDBe:4tv5, PDBj:4tv5
PDBsum4tv5
PubMed25336653
UniProtA0A0H3K9Z0

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