6GQM
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
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) | Mast/stem cell growth factor receptor Kit | polymer | 328 | 37332.6 | 2 | UniProt (P10721) Pfam (PF07714) | Homo sapiens (Human) | SCFR,Piebald trait protein,PBT,Proto-oncogene c-Kit,Tyrosine-protein kinase Kit,p145 c-kit,v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog |
| 2 | C, F (A, B) | ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | non-polymer | 479.5 | 2 | Chemie (F8H) | |||
| 3 | D, E (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 280 | Chemie (HOH) |
Sequence modifications
A, B: 551 - 934 (UniProt: P10721)
| PDB | External Database | Details |
|---|---|---|
| Gly 547 | - | expression tag |
| Ser 548 | - | expression tag |
| His 549 | - | expression tag |
| Met 550 | - | expression tag |
| Ser 563 | Ile 563 | engineered mutation |
| Ser 569 | Val 569 | engineered mutation |
| Gln 609 | Tyr 609 | engineered mutation |
| Ser 631 | Leu 631 | engineered mutation |
| Glu 651 | Met 651 | engineered mutation |
| His 662 | Ile 662 | engineered mutation |
| Glu 688 | Ser 688 | conflict |
| Val 690 | Ile 690 | conflict |
| Pro 691 | Cys 691 | conflict |
| Tyr 692 | Ser 692 | conflict |
| Val 754 | Ala 755 | conflict |
| Ala 755 | Ile 756 | conflict |
| Pro 756 | Met 757 | conflict |
| Leu 759 | - | insertion |
| Tyr 760 | Asp 760 | conflict |
| Lys 761 | Glu 761 | conflict |
| Asp 762 | Leu 762 | conflict |
| Phe 763 | Ala 763 | conflict |
| Thr 765 | Asp 765 | conflict |
| His 768 | Asp 768 | engineered mutation |
| Asn 804 | Arg 804 | engineered mutation |
| Asp 825 | Val 825 | engineered mutation |
| Ser 844 | Cys 844 | engineered mutation |
| Ser 890 | Leu 890 | engineered mutation |
| Tyr 894 | His 894 | engineered mutation |
| Asp 912 | Leu 912 | engineered mutation |
| Asp 923 | Leu 923 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74665.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1029.9 | |
| All* | Total formula weight | 75695.1 |
