Structure of PDB 6f9l Chain A Binding Site BS01

Receptor Information
>6f9l Chain A (length=485) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKGNYVQVYVMLPLDAVSVNNRFEKGDELRAQLRKLVEAGVDGVMVDVWW
GLVEGKGPKAYDWSAYKQLFELVQKAGLKLQAIMSFHQCGGNVGDAVNIP
IPQWVRDVGTRDPDIFYTDGHGTRNIEYLTLGVDNQPLFHGRSAVQMYAD
YMTSFRENMKEFLDAGVIVDIEVGLGPAGEMRYPSYPQSHGWSFPGIGEF
ICYDKYLQADFKAAAAAVGHPEWEFPNDVGQYNDTPERTQFFRDNGTYLS
EKGRFFLAWYSNNLIKHGDRILDEANKVFLGYKVQLAIKISGIHWWYKVP
SHAAELTAGYYNLHDRDGYRTIARMLKRHRASINFTCAEMRDSEQSSQAM
SAPEELVQQVLSAGWREGLNVACENALPRYDPTAYNTILRNARPHGINQS
GPPEHKLFGFTYLRLSNQLVEGQNYVNFKTFVDRMHANLPRDPYVDPMAP
LPRSGPEISIEMILQAAQPKLQPFPFQEHTDLPVG
Ligand information
Ligand IDTUP
InChIInChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6+/m1/s1
InChIKeyBUMRBAMACDBPKO-RXRWUWDJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O)[C@@H](F)[C@@H]1O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
ACDLabs 12.01FC1C(C(O)OC(C1O)CO)O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)O)O)F)O)O
FormulaC6 H11 F O5
Name3-deoxy-3-fluoro-alpha-D-glucopyranose
ChEMBL
DrugBank
ZINCZINC000004329336
PDB chain6f9l 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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PDB6f9l Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
Resolution1.77 Å
Binding residue
(original residue number in PDB)		E184 K293 E378 A380
Binding residue
(residue number reindexed from 1)		E180 K289 E374 A376
Annotation score1
Enzymatic activity
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
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6f9l, PDBe:6f9l, PDBj:6f9l
PDBsum6f9l
PubMed
UniProtA8CFR3

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