29CY
Fragment-based covalent targeting of lysines at the allosteric latch site of SHP2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Tyrosine-protein phosphatase non-receptor type 11 | polymer | 527 | 60392.1 | 2 | UniProt (Q06124) Pfam (PF00017) Pfam (PF00102) | Homo sapiens (human) | Protein-tyrosine phosphatase 1D,PTP-1D,Protein-tyrosine phosphatase 2C,PTP-2C,SH-PTP2,SHP-2,Shp2,SH-PTP3 |
| 2 | C, E, F, G, H... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 3 | D, J (A, B) | 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline | non-polymer | 574.0 | 2 | Chemie (DYV) PubChem (135567405) | |||
| 4 | O, P (A, B) | water | water | 18.0 | 145 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 525 (UniProt: Q06124)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 120784.2 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1768.6 | |
| All* | Total formula weight | 122552.8 |
