Structure of PDB 6r5r Chain A Binding Site BS02

Receptor Information
>6r5r Chain A (length=732) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATDKERFIASLMARMSNAEKIGQLRLVSVGADHPKEALMADIRAGKVGAI
FNTVTRPDIRAMQDQVRHSRLKIPLFHAYDVAHGHRTIFPISLGLAASWD
PEVVARSARISALEASADGLDMSFSPMVDITRDARWGRVSEGFGEDTYLT
SLLSGVMVRAYQGSNLAAPDSIMAAVKHFALYGAAEGGRDYNTVDMSLPR
MFQDYLPPYKAAVDAGAGAVMVSLNTINGVPATANRWLLTDLLRQQWGFK
GLTISNHGAVKELIKHGLAGNERDATRLAIQAGVDMNMNDDLYSTWLPKL
LAAGEIDQADIDRACRDVLAAKYDLGLFADPYRRLGKPDDPPFDTNAESR
LHRQAAREVAREGLVLLKNRDGLLPLKKQGRIAVIGPLAKSQRDVIGSWS
AAGVPRQAVTVYQGLANAVGERATLLYAKGANVSGDQAILDYLNSYNPEV
EVDPRSAEAMLEEALRTARDADLVVAVVGESQGMAHEASSRTDLRIPASQ
RRLLKALKATGKPLVLVLMNGRPLSLGWEQENADAILETWFSGTEGGNAI
ADVLFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDHPGKYTSRYFD
EANGPLYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRAG
ATVVQLYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKFY
DSQLRHTAEPGEFKVFVGLDSAQTESRSFTLL
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 chain6r5r Chain D 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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PDB6r5r Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		F81 H287 E517
Binding residue
(residue number reindexed from 1)		F51 H257 E487
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
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6r5r, PDBe:6r5r, PDBj:6r5r
PDBsum6r5r
PubMed31877028
UniProtQ9I311

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