Structure of PDB 6gya Chain B Binding Site BS05

Receptor Information
>6gya Chain B (length=481) Species: 61169 (Alicyclobacillus sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDNGTMMQYFEWYLPNDGTLWTKMGSDASHLKSIGITGVWFPPAYKGQSQ
SDVGYGVYDMYDLGEFNQKGTVRTKYGTKAQLQSAITSLHNNGIQAYGDV
VLNHRMGADATETISAVEVNPSNRNQVTSGAYNISAWTDFEFPGRGNTYS
SFKWHSYYFDGVDWDQSRQLSGKIYQIQGKAWDWEVDSENGNYDYLMGAD
IDYDHPDVQTEVKNWGKWFVNTLNLDGVRLDAVKHIKFDYMSSWLSSVKS
TTGKSNLFAVGEYWNTSLGALENYENKTNWSMSLFDVPLHMNFQAAANGG
GYYDMRNLLNNTMMKNHPIQAVTFVDNHDTEPGQALQSWVSDWFKPLAYA
TILTRQEGYPCVFYGDYYGIPSQSVSAKSTWLDKQLSARKSYAYGTQHDY
LDNQDVIGWTREGDSAHAGSGLATVMSDGPGGSKTMYVGTAHAGQVFKDI
TGNRTDTVTINSAGNGTFPCNGGSVSIWVKQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6gya Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gya The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		G304 Y305 Y306 Q407 D408 D431
Binding residue
(residue number reindexed from 1)		G301 Y302 Y303 Q404 D405 D428
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0005509 calcium ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6gya, PDBe:6gya, PDBj:6gya
PDBsum6gya
PubMed30644839
UniProtA0A3P8MUS3

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