11HQ
Type-III c-MET Inhibitor Enabled by Free-Energy Perturbation Calculations
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, C (A, B, C) | Hepatocyte growth factor receptor | polymer | 310 | 34915.4 | 3 | UniProt (P08581) Pfam (PF07714) | Homo sapiens (human) | HGF receptor,HGF/SF receptor,Proto-oncogene c-Met,Scatter factor receptor,SF receptor,Tyrosine-protein kinase Met |
| 2 | D, E, F (A, B, C) | (1R,6M)-1-benzyl-6-[(3P)-3-(1-ethyl-1H-pyrazol-4-yl)-5-fluorophenyl]-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one | non-polymer | 412.5 | 3 | Chemie (A1C9B) | |||
| 3 | G, H, I (A, B, C) | water | water | 18.0 | 13 | Chemie (HOH) |
Sequence modifications
A, B, C: 1037 - 1346 (UniProt: P08581)
| PDB | External Database | Details |
|---|---|---|
| Val 1272 | Leu 1272 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 104746.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1237.4 | |
| All* | Total formula weight | 105983.5 |
