Structure of PDB 1b1y Chain A Binding Site BS02

Receptor Information
>1b1y Chain A (length=500) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVWW
GLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNIP
IPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYAD
YMTSFRENMKDFLDAGVIVDIEVGLGPAGELRYPSYPQSHGWSFPGIGEF
ICYDKYLQADFKAAAAAVGHPEWEFPNDAGQYNDTPERTQFFRDNGTYLS
EKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKIAGVHWWYKVP
SHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQPPDAM
SAPEELVQQVLSAGWREGLNVSCENALPRYDPTAYNTILRNARPHGINQS
GPPEHKLFGFTYLRLSNQLVEGQNYVNFKTFVDRMHANLPRDPYVDPMAP
LPRSGPEISIEMILQAAQPKIQPFPFQEHTDLPVGPTGGMGGQAEGPTCG
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain1b1y Chain B Residue 2 [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]
PDB1b1y The crystal structure of the sevenfold mutant of barley beta-amylase with increased thermostability at 2.5 A resolution.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		M15 D51 H91 D99 A182 R418
Binding residue
(residue number reindexed from 1)		M11 D47 H87 D95 A178 R414
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D99 E184 T340 E378 L381
Catalytic site (residue number reindexed from 1) D95 E180 T336 E374 L377
Enzyme Commision number 3.2.1.2: beta-amylase.
Gene Ontology
Molecular Function
GO:0016161 beta-amylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042802 identical protein binding
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1b1y, PDBe:1b1y, PDBj:1b1y
PDBsum1b1y
PubMed9918723
UniProtP16098|AMYB_HORVU Beta-amylase (Gene Name=BMY1)

[Back to BioLiP]