Structure of PDB 4xnl Chain A Binding Site BS05

Receptor Information
>4xnl Chain A (length=425) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYF
MGQAVAATDTIETDTLQSDTPDKSYLAAREFWVDYAGLTAYPGEHLRFGR
QRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPE
DKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTG
QLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIAT
GKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLE
SNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHK
FWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKSALIRFRGGLF
KPGDAYGPGTDSTMHRAFVDFIWRF
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 chain4xnl Chain A Residue 515 [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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PDB4xnl In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D55 D57 A61 G63
Binding residue
(residue number reindexed from 1)		D17 D19 A23 G25
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4xnl, PDBe:4xnl, PDBj:4xnl
PDBsum4xnl
PubMed26057665
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

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