Reaction Details  Report a problem with these data
Cell Reactant:
v-Src SH2 Domain
Syringe Reactant:
BDBM22596
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
06/14/08
ΔG°:
-39.9±n/a (kJ/mole)
pH:
6±n/a
Log10Kb:
6
Temperature:
298.15±n/a (K)
ΔHobs :
-34.8±0.15 (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.0171±n/a (kJ/mole-K)
Citation
 Taylor, JD; Gilbert, PJ; Williams, MA; Pitt, WR; Ladbury, JE Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation. Proteins 67:981-90 (2007) [PubMed]  Article
Cell React
Name:
Tyrosine-protein kinase transforming protein Src
Synonyms:
SRC_RSVSA | V-SRC | p60-Src | v-Src SH2 Domain
Type:
SH2 Domain
Mol. Mass.:
58884.32
Organism:
Avian leukosis virus (RSA)
Description:
P00524
Residue:
526
Sequence:
MGSSKSKPKDPSQRRRSLEPPDSTHHGGFPASQTPNKTAAPDTHRTPSRSFGTVATEPKLFGGFNTSDTVTSPQRAGALAGGVTTFVALYDYESWIETDLSFKKGERLQIVNNTEGNWWLAHSLTTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNPENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFSSLQQLVAYYSKHADGLCHRLTNVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVIEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMGNGEVLDRVERGYRMPCPPECPESLHDLMCQCWRRDPEERPTFEYLQAQLLPACVLEVAE
  
Syringe React
Name:
BDBM22596
Synonyms:
(4S)-4-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carbamoyl-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}pentanediamido]-3-[4-(phosphonooxy)phenyl]propanamido]butanoic acid | Ac-PQpYEEIPI-NH2
Type:
Phosphotyrosyl peptide
Emp. Form.:
C48H73N10O18P
Mol. Mass.:
1109.1232
SMILES:
CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)CC)C(N)=O
Structure:
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