Structure of PDB 6ygq Chain D Binding Site BS01

Receptor Information
>6ygq Chain D (length=119) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SENLIWSGKVDAKNAEGTNTGVALKAGEIITILASGWARNGSENFALTAP
QGRIPREGETLTLRNPSLQARLGNENYPVGNHKYRWSVPAEGTLTLFFAD
GKDQYKDNAGEFSVEVYRE
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 chain6ygq Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ygq EclA N-terminal domain; PllA-like lectin
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N54 D114 Q118 D121 N122
Binding residue
(residue number reindexed from 1)		N40 D100 Q104 D107 N108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links