2HUW
X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
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) | Growth factor receptor-bound protein 2 | polymer | 116 | 13687.5 | 2 | UniProt (P62993) Pfam (PF00017) | Homo sapiens (human) | Adapter protein GRB2, SH2/SH3 adapter GRB2, Protein Ash |
| 2 | C, E (A, B) | N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide | non-polymer | 527.5 | 2 | Chemie (YVN) | |||
| 3 | D (B) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 151 | Chemie (HOH) |
Sequence modifications
A, B: 53 - 162 (UniProt: P62993)
| PDB | External Database | Details |
|---|---|---|
| His 163 | - | expression tag |
| His 164 | - | expression tag |
| His 165 | - | expression tag |
| His 166 | - | expression tag |
| His 167 | - | expression tag |
| His 168 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 27374.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1149.9 | |
| All* | Total formula weight | 28524.8 |
