9YG1
Targeting PTPN22 at non-orthosteric binding sites - a fragment approach
This is a non-PDB format compatible entry.
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 22 | polymer | 322 | 37886.3 | 2 | UniProt (Q9Y2R2) Pfam (PF00102) | Homo sapiens (human) | Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP,Lymphoid phosphatase,LyP,PEST-domain phosphatase,PEP |
| 2 | C, D, E, I, J... (A, B) | ETHANOL | non-polymer | 46.1 | 7 | Chemie (EOH) | |||
| 3 | F (A) | 1-phenyl-1H-pyrazol-4-ol | non-polymer | 160.2 | 1 | Chemie (A1CWL) | |||
| 4 | G (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | H (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | M, N (B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | O, P (A, B) | water | water | 18.0 | 402 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 303 (UniProt: Q9Y2R2)
| PDB | External Database | Details |
|---|---|---|
| Met -15 | - | initiating methionine |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| Gly -8 | - | expression tag |
| Glu -7 | - | expression tag |
| Asn -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Tyr -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Gln -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 304 | - | expression tag |
| Asn 305 | - | expression tag |
| Ser 306 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75772.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 719.4 | |
| All* | Total formula weight | 76491.9 |
