Structure of PDB 4azl Chain A Binding Site BS04

Receptor Information
>4azl Chain A (length=418) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFGLDVKITGESENDRDLGTAPTLNDIGIDLRPWAFGQWGDWSAYFMGQ
AVAATDTIETDTPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSG
QWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVF
GDISTQWAPHHRIGVRIHHADDSGHLRRPGETYTGQLTWLGIEATGDAYN
YRSSMPLNYWASATWLTGDRDNLTTIATGKQSGDVNAFGVDLGLRWNIDE
QWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRG
ELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPG
EKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYG
PGTDSTMHRAFVDFIWRF
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 chain4azl Chain A Residue 1494 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4azl A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D55 D57 A61 P62
Binding residue
(residue number reindexed from 1)		D16 D18 A22 P23
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042121 alginic acid biosynthetic process
Cellular Component
GO:0009279 cell outer membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4azl, PDBe:4azl, PDBj:4azl
PDBsum4azl
PubMed25084326
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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