PPIRE11347

Target Protein Information
Protein_Name Tumor necrosis factor ligand superfamily member 11
Protein_Sequence MRRASRDYGKYLRSSEEMGSGPGVPHEGPLHPAPSAPAPAPPPAASRSMFLALLGLGLGQVVCSIALFLYFRAQMDPNRISEDSTHCFYRILRLHENADLQDSTLESEDTLPDSCRRMKQAFQGAVQKELQHIVGPQRFSGAPAMMEGSWLDVAQRGKPEAQPFAHLTINAASIPSGSHKVTLSSWYHDRGWAKISNMTLSNGKLRVNQDGFYYLYANICFRHHETSGSVPTDYLQLMVYVVKTSIKIPSSHNLMKGGSTKNWSGNSEFHFYSINVGGFFKLRAGEEISIQVSNPSLLDPDQDATYFGAFKVQDID
Organism_Source Mus musculus
Functional_Classification TNF family ligand
Cellular_Localization Extracellular
Gene_Names Tnfsf11
UniProt_ID O35235
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name L3-3
Peptide_Sequence YCWNSDCECCYRR
Peptide_Length 13
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C2<->C11; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1700.90
Aliphatic_Index 0.00000
Aromaticity 0.23077
Average_Rotatable_Bonds 3.92308
Charge_at_pH_7 -0.24940
Isoelectric_Point 6.10124
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 730.49000
X_logP_energy -7.71056
Interaction Information
Affinity KD=17.3 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-based development of a receptor activator of nuclear factor-kappaB ligand (RANKL)inhibitor peptide and molecular basis for osteopetrosis.
Release_Year 2010
PMID 21059944
DOI 10.1073/pnas.1011686107