Structure of PDB 4yrd Chain B Binding Site BS01

Receptor Information
>4yrd Chain B (length=346) 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
VHLAGVGSYLDHVLDILTRNTKKPAILLSSSISKLQGEQLLREYAEEYGN
TVYIYRWPNLFGKWCKPNYNSVIATFCYKIARNEEIQVNDRNVELTLNYV
DDIVAEIKRAIEGTPTIENGVPTVPNVFKVTLGEIVDLLYKFKQSRLDRT
LPKLDNLFEKDLYSTYLSYLPSTDFSYPLLMNVDDRGSFTEFIKTPDRGQ
VSVNISKPGITKGNHWHHTKNEKFLVVSGKGVIRFRHVNDDEIIEYYVSG
DKLEVVDIPVGYTHNIENLGDTDMVTIMWVNEMFDPNQPDTYFLEV
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 chain4yrd Chain B Residue 401 [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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PDB4yrd Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		H288 E295 H337
Binding residue
(residue number reindexed from 1)		H265 E272 H314
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:4yrd, PDBe:4yrd, PDBj:4yrd
PDBsum4yrd
PubMed26471247
UniProtA0A0H3JP37

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