Structure of PDB 6iou Chain B Binding Site BS02

Receptor Information
>6iou Chain B (length=237) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIESLVQDSLMEMVKGVKNTIESDLASKKGLAQSTTEILQLDPTNKAFAK
SVLESPNLKGSFLAIGLGYESDATVVENDDGWEPNADYDPRKRPWYVDAK
RERKLVVTEPYVDISTKKIIISIGTPVYQQSNFVGAMFYDVELTQLAQLV
NSVNLFDAGYLFITTKDGVTIAHPNAENNGEKFSQFLPNVDLKEGTQRIE
LDGKYYLVKFAQVPSESWYIGAVVDESIAFAMVDDLR
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 chain6iou Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6iou Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
Resolution2.1 Å
Binding residue
(original residue number in PDB)
E109 D111 W114 E115
Binding residue
(residue number reindexed from 1)
E77 D79 W82 E83
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links