Structure of PDB 4af9 Chain A Binding Site BS03

Receptor Information
>4af9 Chain A (length=228) Species: 5478 (Nakaseomyces glabratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKDPTTFPLGCSPDITTPKKGLSMELYSYDFRKKGSYPCWDAAYLDPNY
PRTGYKSHRLLAKVDGVTGNINFYYHATKGCTPQLGHLPASYNYPKPLTM
TNFTMLLYGYFRPKVTGFHTFTISADDLLFVNFGAGNAFDCCRRDSSADH
FGNYQAYAIWGSKTAKDELTVHLDAGVYYPIRLFYNNREYDGALSFTFKT
ESNENTVSDFSEYFFSLDDTEEGCPGLI
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 chain4af9 Chain A Residue 1267 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4af9 Structural Basis for Promiscuity and Specificity During Candida Glabrata Invasion of Host Epithelia.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D164 D165 N225 E227 D229
Binding residue
(residue number reindexed from 1)		D126 D127 N187 E189 D191
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links