Structure of PDB 6rjm Chain A Binding Site BS01

Receptor Information
>6rjm Chain A (length=453) Species: 1453998 (Agrobacterium tumefaciens A6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPMTDHKALAARFPGDFLFGVATASFQIEGATKVDGRKPSIWDAFCNMPG
HVFGRHNGDVACDHYNRWEDDLDLIKEMGVEAYRFSIAWPRIIPDGFGPI
NEKGLDFYDRLVDGCKARGIKTYATLYHWDLPLTLMGDGGWASRSTAHAF
QRYAKTVMARLGDRLDAVATFNEPWCAVWLSHLYGIHAPGERNMEAALAA
MHHINLAHGFGVEASRHVAPKVPVGLVLNAHSVIPASNSDADMKAAERAF
QFHNGAFFDPVFKGEYPAEMIEALGSRMPVVEAEDLSIISQKLDWWGLNY
YTPMRVADDATEGAEFPATKQAPAVSDVKTDIGWEVYAPALHSLVETLYE
RYELPDCYITENGACYNMGVENGEVDDQPRLDYYAEHLGIVADLVKDGYP
MRGYFAWSLMDNFEWAEGYRMRFGLVHVDYETQVRTLKNSGKWYSALASG
FPK
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6rjm Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rjm Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Resolution2.112 Å
Binding residue
(original residue number in PDB)		Q33 H134 E179 Y307 E367 W413 E420 W421 F429
Binding residue
(residue number reindexed from 1)		Q27 H128 E173 Y301 E361 W407 E414 W415 F423
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
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6rjm, PDBe:6rjm, PDBj:6rjm
PDBsum6rjm
PubMed31604827
UniProtA0A2I4PGZ0

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