Structure of PDB 5z9s Chain A Binding Site BS01

Receptor Information
>5z9s Chain A (length=765) Species: 216816 (Bifidobacterium longum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGERIADLLSRMTLEEKVGQMMQLDARGGDLEDLIVNKHVGSILHTSPED
LSRAAKTVNEKTRLGIPLIIGDDCIHGYSFWPGATIFPSQLGMAVSWDPD
KVKAAGRATAEEVSCTGVHWTFSPVLCIARDTRWGRVDETFGEDPMLIGE
LASAMVKGYQGGAKAGEALPKNAILACAKHFAGYSETQGGRDASEADLSH
RKLESWFLPPFERVAKEGCGTFMLGYESIEGVPVTFNKWLLTDKLRGAWK
YNGTLITDWDNIGRSVWEQHVKPDYVHAAADAVKAGNDLVMTTPQFYEGA
IEAVKTGLLDESLIDDAVSRILALKFRLGLFEDPRLPDAERIKAVIGSAE
HQQINLELVRESIALLRNDGALPFAANKVKRIAVVGPLADDAQNQLGDWT
GNSGQVSWMPDGQPRDMITTVLDGLTQLTADDCEVVYSRGANVIDLVPDP
AGEFYPDGQPRPKIGVSAAVDQALIDEAVANARQSDLIVAVVGDVVQLVG
ETCSTATLELLGGQNALLDALAAVSRETGKPMVTVLISSKPQVLPASIVG
EYGVFAKRVSDPETGTGSILWAPNPGMRGGQAIAEIILGLTNPSGRLPIT
FPRHAGQLPVYYNQIRGQHGDRYADLTQDPAFAFGEGLSYTTFAYGEPTI
VGGASNADGTFAETDTVHAEITLTNTGERAGVEIVQAYIGDIVTSYSWTD
RELKAFQRVALEPGETKTVAFEIPVANCTIVDPDANRIVEPGEFELLIGH
SSRREDLKRTTFTVA
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 chain5z9s Chain A 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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PDB5z9s Functional and structural characterization of a beta-glucosidase involved in saponin metabolism from intestinal bacteria.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H68 D96 F145 R159 K202 H203 M246 Y249 D281 M314 E524
Binding residue
(residue number reindexed from 1)		H45 D73 F122 R136 K179 H180 M223 Y226 D258 M291 E501
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:0016787 hydrolase activity
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:5z9s, PDBe:5z9s, PDBj:5z9s
PDBsum5z9s
PubMed29421652
UniProtA0A133LV16

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