Structure of PDB 8rqp Chain A Binding Site BS13

Receptor Information

>8rqp Chain A (length=459) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAP
GGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTGREP
DKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWS
FETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRI
GVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMP
LNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNID
EQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFR
GELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQP
GEKDIGQELDLVVTKYFKYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHR
AFVDFIWRF

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

8rqp Chain A Residue 519 [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	8rqp 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins
Resolution	1.45 Å
Binding residue (original residue number in PDB)	D55 D57 A61 G63
Binding residue (residue number reindexed from 1)	D43 D45 A49 G51
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

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Cellular Component

External links

PDB	RCSB:8rqp, PDBe:8rqp, PDBj:8rqp
PDBsum	8rqp
PubMed	38585376
UniProt	P18895\|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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