Structure of PDB 3lpp Chain D Binding Site BS01

Receptor Information
>3lpp Chain D (length=853) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNDPVNVRINCIPEQFPTEGICAQRGCCWRPWNDSLIPWCFFVDNHGYNV
QDMTTTSIGVEAKLNRIPSPTLFGNDINSVLFTTQNQTPNRFRFKITDPN
NRRYEVPHQYVKEFTGPTVSDTLYDVKVAQNPFSIQVIRKSNGKTLFDTS
IGPLVYSDQYLQISARLPSDYIYGIGEQVHKRFRHDLSWKTWPIFTRDQL
PGDNNNNLYGHQTFFMCIEDTSGKSFGVFLMNSNAMEIFIQPTPIVTYRV
TGGILDFYILLGDTPEQVVQQYQQLVGLPAMPAYWNLGFQLSRWNYKSLD
VVKEVVRRNREAGIPFDTQVTDIDYMEDKKDFTYDQVAFNGLPQFVQDLH
DHGQKYVIILDPAISIGRRYATYERGNTQHVWINESDGSTPIIGEVWPGL
TVYPDFTNPNCIDWWANECSIFHQEVQYDGLWIDMNEVSSFIQGSTKGCN
VNKLNYPPFTPDILDKLMYSKTICMDAVQNWGKQYDVHSLYGYSMAIATE
QAVQKVFPNKRSFILTRSTFAGSGRHAAHWLGDNTASWEQMEWSITGMLE
FSLFGIPLVGADICGFVAETTEELCRRWMQLGAFYPFSRNHNSDGYEHQD
PAFFGQNSLLVKSSRQYLTIRYTLLPFLYTLFYKAHVFGETVARPVLHEF
YEDTNSWIEDTEFLWGPALLITPVLKQGADTVSAYIPDAIWYDYESGAKR
PWRKQRVDMYLPADKIGLHLRGGYIIPIQEPDVTTTASRKNPLGLIVALG
ENNTAKGDFFWDDGETKDTIQNGNYILYTFSVSNNTLDIVCTHSSYQEGT
TLAFQTVKILGLTDSVTEVRVAEHSNFTYDASNQVLLIADLKLNLGRNFS
VQW
Ligand information
Ligand IDKTL
InChIInChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25-/m0/s1
InChIKeyOMKXVFDVAGCPBS-QTIKZJLFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O
OpenEye OEToolkits 1.7.0C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO
CACTVS 3.352OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO
FormulaC12 H24 O12 S2
Name(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
ChEMBL
DrugBank
ZINC
PDB chain3lpp Chain D Residue 5001 [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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PDB3lpp Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D231 W327 D355 W435 W470 D472 M473 K509 R555 D571 F604
Binding residue
(residue number reindexed from 1)		D198 W294 D322 W397 W432 D434 M435 K471 R517 D533 F566
Annotation score1
Binding affinityMOAD: Ki=0.6uM
Enzymatic activity
Enzyme Commision number 3.2.1.10: oligo-1,6-glucosidase.
3.2.1.48: sucrose alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3lpp, PDBe:3lpp, PDBj:3lpp
PDBsum3lpp
PubMed20356844
UniProtP14410|SUIS_HUMAN Sucrase-isomaltase, intestinal (Gene Name=SI)

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