8WX7
Crystal structure of SHP2 in complex with JAB-3186
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 | 526 | 60305.0 | 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, N (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 3 | D, O (A, B) | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine | non-polymer | 455.0 | 2 | Chemie (XD8) | |||
| 4 | E, F, G, H, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 15 | Chemie (SO4) | |||
| 5 | V, W, X (B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 6 | Y, Z (A, B) | water | water | 18.0 | 314 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 525 (UniProt: Q06124)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 120610.0 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2581.4 | |
| All* | Total formula weight | 123191.4 |
