Structure of PDB 5dw8 Chain B Binding Site BS01

Receptor Information
>5dw8 Chain B (length=259) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMALYGFAQGLIQEAGIRIKQLMEQNVTNVDKATEDFIFDTILETYPNHQ
VLGEEGHGHDIDTSKGTVWVVDPIDGTLNFVHQQENFAISIGIYIDGKPY
AGFVYDVMADVLYHAKVGEGAYRGSQPLKPLNDSNLRQSIIGINPNWLTK
PILGEIFKEIVNDSRSARAYGSAALEIVSVATGNLEAYMTPRLQPWDFAG
GLVILYEVNGQASNLLGEPLTISGPNSILVGNRGLHQEISNDYLEPHHDA
LIQLHEQRF
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 chain5dw8 Chain B Residue 301 [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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PDB5dw8 Crystal structure of 2'AMP bound SaIMPase-II
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D83 D86 D208
Binding residue
(residue number reindexed from 1)		D72 D75 D197
Annotation score4
External links