Structure of PDB 2fgr Chain A Binding Site BS03

Receptor Information
>2fgr Chain A (length=332) Species: 80866 (Delftia acidovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESSVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGG
LKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSGNFGEVRLGRDLVPTSQK
LTSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYTPNFGGFNA
GFGYAFDEKQTIGTADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVGGLA
TDRDEITLGASYNFGVAKLSGLLQQTKFKRDIGGDIKTNSYMLGASAPVG
GVGEVKLQYALYDQKAIDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDA
STLGLQAKGVYAGGVQAGESQTGVQVGIRHAF
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 chain2fgr Chain A Residue 502 [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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PDB2fgr High resolution crystal structures and molecular dynamics studies reveal substrate binding in the porin omp32
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G70 F71
Binding residue
(residue number reindexed from 1)		G70 F71
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fgr, PDBe:2fgr, PDBj:2fgr
PDBsum2fgr
PubMed16434398
UniProtP24305|OMP32_DELAC Outer membrane porin protein 32 (Gene Name=omp32)

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