Structure of PDB 2z1s Chain A Binding Site BS02

Receptor Information
>2z1s Chain A (length=445) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTFIFPATFMWGTSTSSYQIEGGTDEGGRTPSIWDTFCQIPGKVIGGDCG
DVACDHFHHFKEDVQLMKQLGFLHYRFSVAWPRIMPAAGIINEEGLLFYE
HLLDEIELAGLIPMLTLYHWDLPQWIEDEGGWTQRETIQHFKTYASVIMD
RFGERINWWNTINEPYCASILGYGTGEHAPGHENWREAFTAAHHILMCHG
IASNLHKEKGLTGKIGITLNMEHVDAASERPEDVAAAIRRDGFINRWFAE
PLFNGKYPEDMVEWYGTYLNGLDFVQPGDMELIQQPGDFLGINYYTRSII
RSTNDASLLQVEQVHMEEPVTDMGWEIHPESFYKLLTRIEKDFSKGLPIL
ITENGAAMRDELVNGQIEDTGRQRYIEEHLKACHRFIEEGGQLKGYFVWS
FLDNFEWAWGYSKRFGIVHINYETQERTPKQSALWFKQMMAKNGF
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 chain2z1s Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z1s Crystal Structures of Paenibacillus polymyxa beta-Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights into the Catalytic Machinery of Family I Glycosidases
Resolution2.46 Å
Binding residue
(original residue number in PDB)		E167 Y298 W328 W402 E409
Binding residue
(residue number reindexed from 1)		E164 Y295 W325 W399 E406
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R79 H122 E167 C170 N296 Y298 E356
Catalytic site (residue number reindexed from 1) R76 H119 E164 C167 N293 Y295 E353
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:2z1s, PDBe:2z1s, PDBj:2z1s
PDBsum2z1s
PubMed17585934
UniProtP22505|BGLB_PAEPO Beta-glucosidase B (Gene Name=bglB)

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