Structure of PDB 6r5i Chain B Binding Site BS01

Receptor Information
>6r5i Chain B (length=727) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDKERFIASLMARMSNAEKIGQLRLVSVGADHPKEALMADIRAGKVGAIF
NTVTRPDIRAMQDQVRHSRLKIPLFHAYDVAHGHRTIFPISLGLAASWDP
EVVARSARISALEASADGLDMSFSPMVDITRDARWGRVSEGFGEDTYLTS
LLSGVMVRAYQGSNLAAPDSIMAAVKHFALYGAAEGGRDYNTVDMSLPRM
FQDYLPPYKAAVDAGAGAVMVSLNTINGVPATANRWLLTDLLRQQWGFKG
LTISDHGAVKELIKHGLAGNERDATRLAIQAGVDMNMNDDLYSTWLPKLL
AAGEIDQADIDRACRDVLAAKYDLGLFADPYRRLGKPPPFDTNAESRLHR
QAAREVAREGLVLLKNRDGLLPLKKQGRIAVIGPLAKSQRDVIGSWSAAG
VPRQAVTVYQGLANAVGERATLLYAKGANVSGDQAILDYLNSYNPEVEVD
PRSAEAMLEEALRTARDADLVVAVVGESQGMAHEASSRTDLRIPASQRRL
LKALKATGKPLVLVLMNGRPLSLGWEQENADAILETWFSGTEGGNAIADV
LFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDGKYTSRYFDEANGP
LYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRAGATVVQ
LYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKFYDSQLR
HTAEPGEFKVFVGLDSAQTESRSFTLL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6r5i Chain B Residue 803 [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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PDB6r5i Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D692 V694
Binding residue
(residue number reindexed from 1)		D655 V657
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6r5i, PDBe:6r5i, PDBj:6r5i
PDBsum6r5i
PubMed31877028
UniProtQ9I311

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