Structure of PDB 1b1y Chain A Binding Site BS01

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 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 chain1b1y Chain B Residue 1 [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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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)		A182 E184 K293 T340 E378 A380
Binding residue
(residue number reindexed from 1)		A178 E180 K289 T336 E374 A376
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)

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