Structure of PDB 4kd3 Chain A Binding Site BS01

Receptor Information
>4kd3 Chain A (length=129) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHKEPATLIKAIDGDTVKAMYKGQPMTFRLLLVDTPEFNEKYGPEASAFT
KKMAENAKKIEVEFDKGQRTDKYGRGLAYAYADGKMVNEALVRQGLAKVA
YVYKGNNTHEQLLRKAEAQAKKEKLNIWS
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 chain4kd3 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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PDB4kd3 Pressure effects in proteins
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D21 D40 T41 E43
Binding residue
(residue number reindexed from 1)		D15 D34 T35 E37
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 R35 D40 T41 E43 R87
Catalytic site (residue number reindexed from 1) D15 R29 D34 T35 E37 R75
Enzyme Commision number 3.1.31.1: micrococcal nuclease.
External links
PDB RCSB:4kd3, PDBe:4kd3, PDBj:4kd3
PDBsum4kd3
PubMed
UniProtP00644|NUC_STAAU Thermonuclease (Gene Name=nuc)

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