Structure of PDB 3bh4 Chain A Binding Site BS01

Receptor Information
>3bh4 Chain A (length=483) Species: 1390 (Bacillus amyloliquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNGTLMQYFEWYTPNDGQHWKRLQNDAEHLSDIGITAVWIPPAYKGLSQS
DNGYGPYDLYDLGEFQQKGTVRTKYGTKSELQDAIGSLHSRNVQVYGDVV
LNHKAGADATEDVTAVEVNPANRNQETSEEYQIKAWTDFRFPGRGNTYSD
FKWHWYHFDGADWDESRKISRIFKFRGEGKAWDWEVSSENGNYDYLMYAD
VDYDHPDVVAETKKWGIWYANELSLDGFRIDAAKHIKFSFLRDWVQAVRQ
ATGKEMFTVAEYWQNNAGKLENYLNKTSFNQSVFDVPLHFNLQAASSQGG
GYDMRRLLDGTVVSRHPEKAVTFVENHDTQPGQSLESTVQTWFKPLAYAF
ILTRESGYPQVFYGDMYGTKGTSPKEIPSLKDNIEPILKARKEYAYGPQH
DYIDHPDVIGWTREGDSSAAKSGLAALITDGPGGSKRMYAGLKNAGETWY
DITGNRSDTVKIGSDGWGEFHVNDGSVSIYVQK
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 chain3bh4 Chain A Residue 485 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bh4 Structure of Bacillus amyloliquefaciens alpha-amylase at high resolution: implications for thermal stability.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G301 Y303 P407 D408 D431
Binding residue
(residue number reindexed from 1)		G300 Y302 P406 D407 D430
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R230 D232 E262 H328 D329
Catalytic site (residue number reindexed from 1) R229 D231 E261 H327 D328
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bh4, PDBe:3bh4, PDBj:3bh4
PDBsum3bh4
PubMed20124706
UniProtP00692|AMY_BACAM Alpha-amylase

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