Structure of PDB 5wvp Chain A Binding Site BS01

Receptor Information
>5wvp Chain A (length=924) Species: 343517 (Paenibacillus barengoltzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLGVPLEGFAEYSRIAAAEGGVLLKNENAMLPIRAHEIVSVFGRCQIDY
YRSGTGSGGAVNVPYVVNILDGLRANPRIQVNEQLAKQYEQWIAENPFDN
GGGGAAEPWCQKEMPLTDEIVAQAKQASSKAIVIIGRTAGEDKDNADTEG
SYRLTEQERLNLETVTRHFDQVAVLMNVANVIDMSWINDPVHQGRIRAVM
FVWQGGMIGGHAVADLLSGDVTPSGKLPDTIAHHIEDYPSTANFGSEERN
LYEEDIYVGYRYFETFCPDKVLFPFGYGLSYTSFAWKVQGVKLEGAGTDA
QLEVQVEVTNTGSEFSGKEVIQLYYEAPQGVLGKPARALGAFAKTKLLQP
GESDVLTLQLPVRRMASYDDGGYTGHKSCYVLEAGDYEFHVGNSIRNTER
VTVDGKAAYQLAELMVVEQLEEAAAPTQRFSRLKPGRRKPDGTYEIVREE
VPQRTISLKERIERRLPEAYPQTGNRGIKLKDVQAGKASLEEFVAQLSDE
DLATIVRGEGMSSPKVTPGTASAFGGVGENLLEYGIPVACTADGPSGIRM
DSGLKATQLPIGTLLASSWDVDLVESLYVLEGKELLQNEIDTLLGPGINI
HRHPLNGRNFEYFSEDPYLTGCFASAVTRGIKKGGSSATVKHFAGNNQEK
ARSKVDAVVSERALREIYLKGFEMAVKEGEATSIMTSYNPVNGHWAASNY
DLNTTILRNEWGYQGIVMTDWWAVMNDCVEGGPADLKNTSFMVRAQNDLY
MVVNNDGAEINSLGDNTLEALANGTLTVGELQRCAMNICRFLLNAPALAR
EPKHEVRLIQAAQGDLPIASAGVNVYTLSRSQSAKVLANAETAVVKVQEA
GVYTVTAHIRYEALSQSACNLLLNGELLTTVQTNGTLGRWVTQKQLRIEL
TEGDYELKFDYIKPGLEIEWIEFI
Ligand information
Ligand IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain5wvp Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5wvp Expression, characterization and crystal structure of a novel beta-glucosidase from Paenibacillus barengoltzii
Resolution2.294 Å
Binding residue
(original residue number in PDB)		S83 D570 L621 R635 K668 H669 M712 Y715 D747 W748
Binding residue
(residue number reindexed from 1)		S57 D543 L594 R608 K641 H642 M685 Y688 D720 W721
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5wvp, PDBe:5wvp, PDBj:5wvp
PDBsum5wvp
PubMed
UniProtA0A1P8VKA0

[Back to BioLiP]