Structure of PDB 9fzc Chain B Binding Site BS01

Receptor Information
>9fzc Chain B (length=172) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPKDNTWYTGAKLGWSQYHDTGFINNNGPTHENQLGAGAFGGYQVNPYV
GFEMGYDWLGRMPYKGSVENGAYKAQGVQLTAKLGYPITDDLDIYTRLGG
MVWRADTKSNVYGKNHDTGVSPVFAGGVEYAITPEIATRLEYQWTNNIGD
AHTIGTRPDNGMLSLGVSYRFA
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 chain9fzc Chain B Residue 212 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9fzc Rapid detection and capture of clinical Escherichia coli strains mediated by OmpA-targeting nanobodies
Resolution2.27 Å
Binding residue
(original residue number in PDB)		N146 D158
Binding residue
(residue number reindexed from 1)		N147 D159
Annotation score4
External links
PDB RCSB:9fzc, PDBe:9fzc, PDBj:9fzc
PDBsum9fzc
PubMed
UniProtP0A910|OMPA_ECOLI Outer membrane protein A (Gene Name=ompA)

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