Structure of PDB 7ut3 Chain L Binding Site BS01

Receptor Information
>7ut3 Chain L (length=210) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVLTQSPAIMSASPGEKVTLTCSASSGIGFIHWYQQKPGTSPKRWIYDTS
ILASGVPARFSGSGSETSYSLTITIMEAEDAATYYCHQRSSYPTFGGGTK
LEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGS
ERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTS
PIVKSFNRNE
Ligand information
Ligand IDTI0
InChIInChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1
InChIKeyOMRLTNCLYHKQCK-RGDJUOJXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O
ACDLabs 12.01[O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O)C1NC(C)=O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccc(cc2)[N+]([O-])=O
FormulaC14 H18 N2 O8
Name4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
ChEMBL
DrugBank
ZINCZINC000005167486
PDB chain7ut3 Chain L Residue 301 [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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PDB7ut3 Development of a GalNAc-Tyrosine-Specific Monoclonal Antibody and Detection of Tyrosine O -GalNAcylation in Numerous Human Tissues and Cell Lines.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R90 S92 Y93 P94
Binding residue
(residue number reindexed from 1)		R89 S91 Y92 P93
Annotation score1
External links