Structure of PDB 3vhr Chain A Binding Site BS01

Receptor Information
>3vhr Chain A (length=343) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIVITGAKGFVGKNLKADLTSTTDHHIFEVHRQTKEEELESALLKADFI
VHLASLGNVSYLDHVLDILTRNTKKPAILLSSSGEQLLREYAEEYGNTVY
IYRWPNLFGKWCKPNYNSVIATFCYKIARNEEIQVNDRNVELTLNYVDDI
VAEIKRAIEGTPTIENGVPTVPNVFKVTLGEIVDLLYKFKQSRLDRTLPK
LDNLFEKDLYSTYLSYLPSTDFSYPLLMNVDDRGSFTEFIKTPDRGQVSV
NISKPGITKGNHWHHTKNEKFLVVSGKGVIRFRHVNDDEIIEYYVSGDKL
EVVDIPVGYTHNIENLGDTDMVTIMWVNEMFDPNQPDTYFLEV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3vhr Chain A Residue 400 [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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PDB3vhr Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H288 H290 E295 H337
Binding residue
(residue number reindexed from 1)		H262 H264 E269 H311
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3vhr, PDBe:3vhr, PDBj:3vhr
PDBsum3vhr
PubMed22320426
UniProtA0A0H3JP37

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