Structure of PDB 2fgr Chain A Binding Site BS04

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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2fgr Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2fgr High resolution crystal structures and molecular dynamics studies reveal substrate binding in the porin omp32
Resolution	1.5 Å
Binding residue (original residue number in PDB)	G54 F55 W56 T78 V79 S80
Binding residue (residue number reindexed from 1)	G54 F55 W56 T78 V79 S80
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0015288	porin activity

	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
PDBsum	2fgr
PubMed	16434398
UniProt	P24305\|OMP32_DELAC Outer membrane porin protein 32 (Gene Name=omp32)

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