Structure of PDB 2yn3 Chain C Binding Site BS04

Receptor Information
>2yn3 Chain C (length=284) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPNAPVVTYSDIVNDLIIMQGTAEAKSQLIITDSEGNTYTLTVPDNGKWS
MAIPYPSEGKFTITSVDAIGNRSDDVPLDIMKEVPVISLSPDSDSGTVGD
NITRDKQPTFIIGNLESDVVVVQVDINGTVYNAEKNADGVWFFTPGTPLA
DGSYTISVIASDAAGNQKNSLPITVTIDSTLTVPEIALAAGEDNDSDNVT
NHTQPKFTLQHIDADVTGVTVNVTHNGVTDIYQATQGADGWTFTPPAAWN
DGNYTLSVTVVDRAGNSQQSASLAVTVDSTVTVT
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 chain2yn3 Chain C Residue 6370 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yn3 Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications for the Adhesion of Salmonella Enterica to Polarized Epithelial Cells.
Resolution2.12 Å
Binding residue
(original residue number in PDB)
D5271 N5272 D5276 D5278 V5280
Binding residue
(residue number reindexed from 1)
D193 N194 D195 D197 V199
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links