Structure of PDB 4afk Chain A Binding Site BS01

Receptor Information

>4afk Chain A (length=430) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSA
YFMGQAVAATDTIETDTLQSDTDGREPDKSYLAAREFWVDYAGLTAYPGE
HLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDL
DELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNL
DKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVD
DRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQF
QQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDA
SLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFSALIRF
RGGLFKPGDAYGPGTDSTMHRAFVDFIWRF

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

4afk Chain A Residue 1509 [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	4afk A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa.
Resolution	1.897 Å
Binding residue (original residue number in PDB)	D55 D57 A61 P62 G63
Binding residue (residue number reindexed from 1)	D19 D21 A25 P26 G27
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Biological Process
GO:0042121	alginic acid biosynthetic process

	Cellular Component
GO:0009279	cell outer membrane

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:4afk, PDBe:4afk, PDBj:4afk
PDBsum	4afk
PubMed	25084326
UniProt	P18895\|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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