Structure of PDB 6r5u Chain B Binding Site BS01

Receptor Information
>6r5u Chain B (length=729) 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
LTISNHGAVKELIKHGLAGNERDATRLAIQAGVDMNMNDDLYSTWLPKLL
AAGEIDQADIDRACRDVLAAKYDLGLFADPYRRLGKPDDPPFDTNAESRL
HRQAAREVAREGLVLLKNRDGLLPLKKQGRIAVIGPLAKSQRDVIGSWSA
AGVPRQAVTVYQGLANAVGERATLLYAKGANVSGDQAILDYLNSYNPEVE
VDPRSAEAMLEEALRTARDADLVVAVVGESQGMAHEASSRTDLRIPASQR
RLLKALKATGKPLVLVLMNGRPLSLGWEQENADAILETWFSGTEGGNAIA
DVLFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDGKYTSRYFDEAN
GPLYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRAGATV
VQLYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKFYDSQ
LRHTAEPGEFKVFVGLDSAQTESRSFTLL
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain6r5u Chain C Residue 2 [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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PDB6r5u Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D110 R168 K207 M251 N286 E517
Binding residue
(residue number reindexed from 1)		D79 R137 K176 M220 N255 E486
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:6r5u, PDBe:6r5u, PDBj:6r5u
PDBsum6r5u
PubMed31877028
UniProtQ9I311

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