Structure of PDB 4cp0 Chain A Binding Site BS03

Receptor Information
>4cp0 Chain A (length=219) Species: 284593 (Nakaseomyces glabratus CBS 138) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHYPRPEGCSSPPNAVSVGLHMDLYNYPYLYVKQCWNPEYQDPNFPRYGY
KKYGSFGSSDHVNGKISWDHNEFKEGCKPIMARLPTAYNYPAKITFSNFT
MVLSGYFKPKSTGLYKFEIHADDFILFNFGSKNAFECCNREESIDNFGPY
VAYAMWPNEADQELEVYLFEDSYYPIRLFYNNRDYHSKFMVGFYPPNTEE
ITYDFDGYLYMLDDTGNEC
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 chain4cp0 Chain A Residue 1294 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cp0 Functional reprogramming of Candida glabrata epithelial adhesins: the role of conserved and variable structural motifs in ligand binding
Resolution2.15 Å
Binding residue
(original residue number in PDB)
D196 D197 N256 D258 H260
Binding residue
(residue number reindexed from 1)
D122 D123 N182 D184 H186
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links