Structure of PDB 3oli Chain A Binding Site BS04

Receptor Information
>3oli Chain A (length=495) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAI
YNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINH
MCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENY
NDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKH
MWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNG
RVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFMPSDRALVFVDNHDN
QRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNG
NDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVV
DGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCD
VISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL
Ligand information
Ligand IDG6D
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKeySHZGCJCMOBCMKK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(C(O)C(O)C(O)C(O1)C)O
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Namealpha-D-quinovopyranose;
alpha-D-quinovose;
6-deoxy-alpha-D-glucopyranose;
D-quinovose;
quinovose;
6-DEOXY-ALPHA-D-GLUCOSE
ChEMBL
DrugBankDB03773
ZINCZINC000002042980
PDB chain3oli Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oli Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H201 E233 G306
Binding residue
(residue number reindexed from 1)		H200 E232 G305
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D197 S226 D300
Catalytic site (residue number reindexed from 1) D196 S225 D299
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
GO:0044245 polysaccharide digestion
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:3oli, PDBe:3oli, PDBj:3oli
PDBsum3oli
PubMed21111049
UniProtP04746|AMYP_HUMAN Pancreatic alpha-amylase (Gene Name=AMY2A)

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