Structure of PDB 1pig Chain A Binding Site BS02

Receptor Information
>1pig Chain A (length=496) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENVV
VTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVIN
HMCGSGAAAGTGTTCGSYCNPGSREFPAVPYSAWDFNDGKCKTASGGIES
YNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASK
HMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAISSSEYFGN
GRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHD
NQRGHGAGGSSILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVN
GEDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWREIRNMVWFRNV
VDGQPFANWWDNGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYC
NVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAQDPFIAIHAESKL
Ligand information
Ligand IDAGL
InChIInChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKeyRJKBJEZZABBYBA-DVKNGEFBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N
CACTVS 3.341C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N
ACDLabs 10.04OC1C(N)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)N
FormulaC6 H13 N O4
Name4-amino-4,6-dideoxy-alpha-D-glucopyranose;
4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE;
4-amino-4-deoxy-alpha-D-quinovopyranose;
4-amino-4,6-dideoxy-alpha-D-glucose;
4-amino-4,6-dideoxy-D-glucose;
4-amino-4,6-dideoxy-glucose
ChEMBL
DrugBankDB03439
ZINC
PDB chain1pig Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pig Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
W59 V163
Binding residue
(residue number reindexed from 1)
W59 V163
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=9.15,IC50=0.7nM
Enzymatic activity
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:0016052 carbohydrate catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1pig, PDBe:1pig, PDBj:1pig
PDBsum1pig
PubMed8757803
UniProtP00690|AMYP_PIG Pancreatic alpha-amylase (Gene Name=AMY2)

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