Structure of PDB 4uw5 Chain F Binding Site BS01

Receptor Information
>4uw5 Chain F (length=132) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHKSSLPEGIRPGTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFNPR
LDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVVGD
AQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF
Ligand information
Ligand ID4S0
InChIInChI=1S/C49H80N10O33/c50-49(13-81-10-16-1-57(54-51-16)43-34(75)31(72)40(22(7-63)84-43)90-46-37(78)28(69)25(66)19(4-60)87-46,14-82-11-17-2-58(55-52-17)44-35(76)32(73)41(23(8-64)85-44)91-47-38(79)29(70)26(67)20(5-61)88-47)15-83-12-18-3-59(56-53-18)45-36(77)33(74)42(24(9-65)86-45)92-48-39(80)30(71)27(68)21(6-62)89-48/h1-3,19-48,60-80H,4-15,50H2/t19-,20-,21?,22-,23-,24?,25+,26+,27?,28+,29+,30?,31-,32-,33?,34-,35+,36?,37+,38-,39?,40-,41-,42?,43?,44-,45?,46+,47+,48?,49-/m1/s1
InChIKeySJELSRWZDPHJDW-KWHDUCOQSA-N
SMILES
SoftwareSMILES
N[C](COCc1cn(nn1)C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)(COCc4cn(nn4)[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)COCc7cn(nn7)[CH]8O[CH](CO)[CH](O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH](O)[CH]8O
N[C@@](COCc1cn(nn1)C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)(COCc4cn(nn4)[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]5O)COCc7cn(nn7)[C@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@@H]9O)[C@H](O)[C@H]8O
OpenEye OEToolkits 1.7.6c1c(nnn1C2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)C5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O)(COCc7cn(nn7)C8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)N
c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N
FormulaC49 H80 N10 O33
NameDENDRON D2-1
ChEMBL
DrugBank
ZINC
PDB chain4uw5 Chain F Residue 1136 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uw5 Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		H49 R53 N62 W69 E72 R74
Binding residue
(residue number reindexed from 1)		H46 R50 N59 W66 E69 R71
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4uw5, PDBe:4uw5, PDBj:4uw5
PDBsum4uw5
PubMed25367374
UniProtP47929|LEG7_HUMAN Galectin-7 (Gene Name=LGALS7)

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