Structure of PDB 4uw3 Chain A Binding Site BS01

Receptor Information
>4uw3 Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVPHKSSLPEGIRPGTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFN
PRLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVV
GDAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF
Ligand information
Ligand ID50G
InChIInChI=1S/C31H50N10O18/c32-31(10-54-7-13-1-39(36-33-13)27-16(4-42)19(45)26(52)30(53)59-27,11-55-8-14-2-40(37-34-14)28-24(50)22(48)20(46)17(5-43)57-28)12-56-9-15-3-41(38-35-15)29-25(51)23(49)21(47)18(6-44)58-29/h1-3,16-30,42-53H,4-12,32H2/t16?,17-,18-,19?,20+,21+,22+,23+,24-,25-,26?,27?,28-,29-,30?/m1/s1
InChIKeyVLZLQHDSQRKRHA-NBVMFUKPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(nnn1C2C(C(C(C(O2)O)O)O)CO)COCC(COCc3cn(nn3)C4C(C(C(C(O4)CO)O)O)O)(COCc5cn(nn5)C6C(C(C(C(O6)CO)O)O)O)N
CACTVS 3.385N[C@](COCc1cn(nn1)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)(COCc3cn(nn3)[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)COCc5cn(nn5)C6OC(O)C(O)C(O)C6CO
ACDLabs 12.01OC1C(C(OC(O)C1O)n2nnc(c2)COCC(N)(COCc3nnn(c3)C4OC(CO)C(O)C(O)C4O)COCc5nnn(c5)C6OC(CO)C(O)C(O)C6O)CO
OpenEye OEToolkits 1.7.6c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N
CACTVS 3.385N[C](COCc1cn(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)(COCc3cn(nn3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)COCc5cn(nn5)C6OC(O)C(O)C(O)C6CO
FormulaC31 H50 N10 O18
NameDENDRON-D1
ChEMBL
DrugBank
ZINC
PDB chain4uw3 Chain A Residue 1136 [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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PDB4uw3 Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
Resolution1.479 Å
Binding residue
(original residue number in PDB)		H49 R53 W69 E72
Binding residue
(residue number reindexed from 1)		H48 R52 W68 E71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0030246 carbohydrate binding
Biological Process
GO:0006915 apoptotic process
GO:0007157 heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
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:4uw3, PDBe:4uw3, PDBj:4uw3
PDBsum4uw3
PubMed25367374
UniProtP47929|LEG7_HUMAN Galectin-7 (Gene Name=LGALS7)

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