Structure of PDB 6r5r Chain A Binding Site BS01

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 1 [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)		D110 R168 K207 H208 M251 E517
Binding residue
(residue number reindexed from 1)		D80 R138 K177 H178 M221 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

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

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