Structure of PDB 6jfp Chain A Binding Site BS01

Receptor Information
>6jfp Chain A (length=444) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKFPDQFLWGAATSAYQIEGSPLADGAGPSIWHRFVHSPGLTAKGETGDI
ACDHYNRYRDDIALMRSLGLQAYRFSVNWGRIFPDGTGRLNSAGLDFYER
LVDALLEAGIEPLATLYHWDLPAALDDRGGWLNPEIAHWFADYAGAMFER
LDGRVKRWATLNEPWVITDGGYLHGALAPGHRNVFEAPIASRNLMLAHGA
AVQRYRQAGKHEIGLVVNIEPKYPASESDSDRNAAARSDAYMNRQYLDPA
FGLGCPTEMAEIFGPAWRDWTAEELALAAQPIDWLGINYYTRGVMKHDDA
KPPVRADYVRQPGATYTETGWEVFEQGLTETLLWVKERYGDIPLYVTENG
SAFDDPPTAQGGRLEDPARVDYLERHLRAVHAAIAGGADVRGYMAWSLLD
NLEWSLGFSKRFGIVHIDFETQQRTPKDSARLYSTVIASNGAVL
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 chain6jfp 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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PDB6jfp Engineering of beta-Glucosidase Bgl15 with Simultaneously Enhanced Glucose Tolerance and Thermostability To Improve Its Performance in High-Solid Cellulose Hydrolysis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Q18 E164 Y291 W322 E349 E404 W405
Binding residue
(residue number reindexed from 1)		Q17 E163 Y290 W321 E348 E403 W404
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:0016052 carbohydrate catabolic process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jfp, PDBe:6jfp, PDBj:6jfp
PDBsum6jfp
PubMed32338906
UniProtA0A5B9BHU3

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