Structure of PDB 1pig Chain A Binding Site BS09

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 IDHMC
InChIInChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
InChIKeyPJPGMULJEYSZBS-VZFHVOOUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(C(C(C1O)O)O)O)CO
ACDLabs 10.04OC1C(=CC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
CACTVS 3.341OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC7 H12 O5
Name5-HYDROXYMETHYL-CHONDURITOL
ChEMBLCHEMBL1233349
DrugBankDB03092
ZINC
PDB chain1pig Chain A Residue 703 [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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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)		W58 H101 D197 E233 H299 D300
Binding residue
(residue number reindexed from 1)		W58 H101 D197 E233 H299 D300
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
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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