4J9C
Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase ABL1 | polymer | 63 | 6986.7 | 1 | UniProt (P00519) Pfam (PF00018) | Homo sapiens (human) | Abelson murine leukemia viral oncogene homolog 1, Abelson tyrosine-protein kinase 1, Proto-oncogene c-Abl, p150 |
| 2 | B (B) | P17 | polymer | 11 | 1065.2 | 1 | |||
| 3 | C (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 4 | D (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 80 | Chemie (HOH) |
Sequence modifications
A: 60 - 121 (UniProt: P00519)
| PDB | External Database | Details |
|---|---|---|
| Met 59 | - | initiating methionine |
| Gln 95 | His 95 | engineered mutation |
| Thr 96 | Asn 96 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 8051.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 256.3 | |
| All* | Total formula weight | 8308.2 |
