Structure of PDB 6r5t Chain A Binding Site BS02

Receptor Information
>6r5t Chain A (length=733) 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
DVLFGEHNPSGKLTMSFPRSVGQVPVYYNHLNTGRPMDHDNPGKYTSRYF
DEANGPLYPFGYGLSYTEFSLSPLRLSSERLARGATLEARVTLSNSGKRA
GATVVQLYLQDPVASLSRPVKELRGFRKVMLEPGESREIVFRLGEADLKF
YDSQLRHTAEPGEFKVFVGLDSAQTESRSFTLL
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6r5t 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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PDB6r5t Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F81 H287 W429 E517
Binding residue
(residue number reindexed from 1)		F50 H256 W398 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:6r5t, PDBe:6r5t, PDBj:6r5t
PDBsum6r5t
PubMed31877028
UniProtQ9I311

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