Structure of PDB 5yy4 Chain A Binding Site BS02

Receptor Information
>5yy4 Chain A (length=236) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQQSGAELVRPGTSVKMSCKAAGYTFTKYWIGWVKQRPGHGLEWIGD
IHPGSFYSNYNEKFKGKATLTADTSSSTAYMQLSSLTSEDSAIYYCARDY
YTNYGDWGQGTSVTVSSGGGGSDIVMTQAAPSVSVTPGESVSISCRSSKS
LLHRNGNTYLFWFLQRPGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTL
RISRVEAEDVGVYYCMQHLEYPYTFGSGTKLELKVR
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain5yy4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yy4 Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody
Resolution1.59 Å
Binding residue
(original residue number in PDB)
Y29 T30 K33 Y34
Binding residue
(residue number reindexed from 1)
Y27 T28 K31 Y32
Annotation score3
External links