Structure of PDB 5jp0 Chain B Binding Site BS01

Receptor Information
>5jp0 Chain B (length=745) Species: 28116 (Bacteroides ovatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPVIPTDPAIETHIREWLQKMTLEQKIGQMCEITIDVVSDLETSRKKGFC
LSEAMLDTVIGKYKVGSLLNVPLGVAQKKEKWAEAIKQIQEKSMKEIGIP
CIYGVDQIHGTTYTLDGTMFPQGINMGATFNRELTRRGAKISAYETKAGC
IPWTFAPVVDLGRDPRWARMWENYGEDCYVNAEMGVSAVKGFQGEDPNRI
GEYNVAACMKHYMGYGVPVSGKDRTPSSISRSDMREKHFAPFLAAVRQGA
LSVMVNSGVDNGLPFHANRELLTEWLKEDLNWDGLIVTDWADINNLCTRD
HIAATKKEAVKIVINAGIDMSMVPYEVSFCDYLKELVEEGEVSMERIDDA
VARVLRLKYRLGLFDHPYWDIKKYDKFGSKEFAAVALQAAEESEVLLKND
GNILPIAKGKKILLTGPNANSMRCLNGGWSYSWQGHVADEYAQAYHTIYE
ALCEKYGKENIIYEPGVTYASYKNDNWWEENKPETEKPVAAAAQADIIIT
CIGENSYCETPGNLTDLTLSENQRNLVKALAATGKPIVLVLNQGRPRIIN
DIVPLAKAVVNIMLPSNYGGDALANLLAGDANFSGKMPFTYPRLINALAT
YDYKPCENMMDIQWPFGFGLSYTNYKYSNLKVNKPTFNADDELIFTVDVT
NTGKVAGKESVLLFSKDLVASSTPDNIRLRNFEKVSLEPGETKTVTLKLK
GSDLAFVGYDGKWRLEKGDFKIKCGDQWMDIVCDQTKVWNTPNKN
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 chain5jp0 Chain B Residue 801 [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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PDB5jp0 Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D131 R194 K235 H236 R249 M279 D314 W315 E534
Binding residue
(residue number reindexed from 1)		D106 R169 K210 H211 R224 M254 D289 W290 E509
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D314 E534
Catalytic site (residue number reindexed from 1) D289 E509
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:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process
GO:0085030 symbiotic process benefiting host
GO:2000899 xyloglucan catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5jp0, PDBe:5jp0, PDBj:5jp0
PDBsum5jp0
PubMed27466444
UniProtA7LXU3|BGH3B_BACO1 Beta-glucosidase BoGH3B (Gene Name=BACOVA_02659)

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