Structure of PDB 3dhp Chain A Binding Site BS04

Receptor Information
>3dhp Chain A (length=496) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYSSNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVA
IHNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVIN
HMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGADFNDGKCKTGSGDIEN
YNDATQVRDCRLSGLLDLALGKDYVRSKIAEYMNHLIDIGVAGFRIDASK
HMAPGDIKAILDKLHNLNSNWFPEGSKPFIYQEVIDLGGEPIKSSDYFGN
GRVTEFKYGAKLGTVIRKWNGEKMSALKNWGEGAGFMPSDRALVFVDNHD
NQRGHGAGGASILTFADARLYKMAVGFMLAHPYGFTRVMSSYRWPRYFEN
GKDVNDWVGPPNDNGVTKEVTINPDTTCGNDWVCEHRARQIRNMVNFRNV
VDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWTFSLTLQTGLPAGTYC
DVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL
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 chain3dhp Chain A Residue 497 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dhp Probing the role of aromatic residues
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N100 R158 D167 H201
Binding residue
(residue number reindexed from 1)		N100 R158 D167 H201
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R195 D197 S226 H299 D300
Catalytic site (residue number reindexed from 1) R195 D197 S226 H299 D300
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0005509 calcium ion binding
GO:0016160 amylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031404 chloride ion binding
GO:0043169 cation binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009311 oligosaccharide metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dhp, PDBe:3dhp, PDBj:3dhp
PDBsum3dhp
PubMed
UniProtP0DUB6|AMY1A_HUMAN Alpha-amylase 1A (Gene Name=AMY1A)

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