7CME
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Cadherin-3 | polymer | 214 | 23422.0 | 2 | UniProt (P22223) Pfam (PF00028) In PDB | Homo sapiens (Human) | Placental cadherin,P-cadherin |
| 2 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 3 | A | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine | non-polymer | 208.7 | 3 | Chemie (G60) | |||
| 4 | A, B | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 5 | water | water | 18.0 | 29 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 213 (UniProt: P22223)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46844.0 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1022.8 | |
| All* | Total formula weight | 47866.8 |
