Structure of PDB 1uz8 Chain L Binding Site BS01

Receptor Information
>1uz8 Chain L (length=218) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVMTQAAFSNPVTLGTSASISCRSSKSLLYSNGITYLYWYLQKPGQSPQ
LLIYQMSNLASGVPDRFSSSGSGTDFTLRISRVEAEDVGVYYCAQNLEVP
WTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNE
Ligand information
Ligand IDMAG
InChIInChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1
InChIKeyZEVOCXOZYFLVKN-JGKVKWKGSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
CACTVS 3.341CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1OC)CO)C
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OC)CO)O)O
FormulaC9 H17 N O6
Namemethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
BETA-METHYL-N-ACETYL-D-GLUCOSAMINE;
methyl 2-acetamido-2-deoxy-beta-D-glucoside;
methyl 2-acetamido-2-deoxy-D-glucoside;
methyl 2-acetamido-2-deoxy-glucoside
ChEMBL
DrugBankDB04426
ZINCZINC000005234411
PDB chain1uz8 Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uz8 Structure of an Anti-Lewis X Fab Fragment in Complex with its Lewis X Antigen
Resolution1.8 Å
Binding residue
(original residue number in PDB)
N91 L92
Binding residue
(residue number reindexed from 1)
N96 L97
Annotation score1
External links