Structure of PDB 6r5v Chain B Binding Site BS01

Receptor Information
>6r5v Chain B (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 IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain6r5v 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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PDB6r5v Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D110 R168 K207 H208 N286
Binding residue
(residue number reindexed from 1)		D79 R137 K176 H177 N255
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:6r5v, PDBe:6r5v, PDBj:6r5v
PDBsum6r5v
PubMed31877028
UniProtQ9I311

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