Structure of PDB 3rbh Chain A Binding Site BS01

Receptor Information
>3rbh Chain A (length=428) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFM
GQAVAATDTIETDTLPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLRE
DSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRT
HVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWL
GIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTRIATGKQSGDVNAFGV
DLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSR
VHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGT
SGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRG
GLFKPGDAYGPGTDSTMHRAFVDFIWRF
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 chain3rbh Chain A Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3rbh Structural basis for alginate secretion across the bacterial outer membrane.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		D55 D57 A61 G63
Binding residue
(residue number reindexed from 1)		D16 D18 A22 G24
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:3rbh, PDBe:3rbh, PDBj:3rbh
PDBsum3rbh
PubMed21778407
UniProtP18895|ALGE_PSEAE Alginate production protein AlgE (Gene Name=algE)

[Back to BioLiP]