Structure of PDB 4yij Chain A Binding Site BS01

Receptor Information
>4yij Chain A (length=131) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFNEKYGPEASA
FTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLEK
VAYVYKGNNTHEQLLRKAEAQAKKEKLNIWS
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 chain4yij Chain A Residue 201 [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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PDB4yij Crystal structure of Staphylcoccal nuclease variant Delta+PHS A109E at cryogenic temperature
Resolution1.64 Å
Binding residue
(original residue number in PDB)		D19 D21
Binding residue
(residue number reindexed from 1)		D15 D17
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D17 R31 D36 T37 E39 R77
Enzyme Commision number 3.1.31.1: micrococcal nuclease.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004518 nuclease activity

View graph for
Molecular Function
External links
PDB RCSB:4yij, PDBe:4yij, PDBj:4yij
PDBsum4yij
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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