Structure of PDB 4y26 Chain A Binding Site BS01

Receptor Information
>4y26 Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPHKSSLPEGIRPGTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFNP
RLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVVG
DAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF
Ligand information
Ligand ID6S2
InChIInChI=1S/C9H17NO9S/c1-4(11)10-6-8(13)7(12)5(19-9(6)17-2)3-18-20(14,15)16/h5-9,12-13H,3H2,1-2H3,(H,10,11)(H,14,15,16)/t5-,6-,7-,8-,9-/m1/s1
InChIKeyYXCFEMRJLRBLKN-JGKVKWKGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C(C(OC1OC)COS(=O)(=O)O)O)O
CACTVS 3.385CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1NC(C)=O
CACTVS 3.385CO[C@@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
ACDLabs 12.01OC1C(OC(C(C1O)NC(C)=O)OC)COS(O)(=O)=O
FormulaC9 H17 N O9 S
Namemethyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside;
methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside;
methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucoside;
methyl 2-acetamido-2-deoxy-6-O-sulfo-D-glucoside;
methyl 2-acetamido-2-deoxy-6-O-sulfo-glucoside
ChEMBL
DrugBank
ZINCZINC000199339459
PDB chain4y26 Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y26 Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
Resolution2.611 Å
Binding residue
(original residue number in PDB)		R53 E72
Binding residue
(residue number reindexed from 1)		R51 E70
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:4y26, PDBe:4y26, PDBj:4y26
PDBsum4y26
PubMed
UniProtP47929|LEG7_HUMAN Galectin-7 (Gene Name=LGALS7)

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