4HVS
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Mast/stem cell growth factor receptor Kit | polymer | 335 | 38042.1 | 1 | 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 | B (A) | 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine | non-polymer | 382.4 | 1 | Chemie (647) | |||
| 3 | C (A) | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
A: 551 - 934 (UniProt: P10721)
| PDB | External Database | Details |
|---|---|---|
| Met 542 | - | expression tag |
| Gly 543 | - | expression tag |
| His 544 | - | expression tag |
| His 545 | - | expression tag |
| His 546 | - | expression tag |
| His 547 | - | expression tag |
| His 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 |
| His 690 | Ile 690 | engineered mutation |
| Ser 691 | Cys 691 | engineered mutation |
| Asp 693 | Lys 693 | engineered mutation |
| Thr 694 | Gln 694 | engineered mutation |
| Ser 753 | Glu 695 | engineered mutation |
| - | Asp 696 | deletion |
| - | His 697 | deletion |
| - | Ala 698 | deletion |
| - | Glu 699 | deletion |
| - | Ala 700 | deletion |
| - | Ala 701 | deletion |
| - | Leu 702 | deletion |
| - | Tyr 703 | deletion |
| - | Lys 704 | deletion |
| - | Asn 705 | deletion |
| - | Leu 706 | deletion |
| - | Leu 707 | deletion |
| - | Lys 710 | deletion |
| - | Glu 711 | deletion |
| - | Ser 712 | deletion |
| - | Ser 713 | deletion |
| - | Cys 714 | deletion |
| - | Ser 717 | deletion |
| - | Thr 718 | deletion |
| - | Asn 719 | deletion |
| - | Glu 720 | deletion |
| - | Tyr 721 | deletion |
| - | Met 722 | deletion |
| - | Asp 723 | deletion |
| - | Met 724 | deletion |
| - | Lys 725 | deletion |
| - | Pro 726 | deletion |
| - | Gly 727 | deletion |
| - | Val 728 | deletion |
| - | Ser 729 | deletion |
| - | Tyr 730 | deletion |
| - | Val 731 | deletion |
| - | Val 732 | deletion |
| - | Pro 733 | deletion |
| - | Lys 735 | deletion |
| - | Ala 736 | deletion |
| - | Asp 737 | deletion |
| - | Lys 738 | deletion |
| - | Arg 739 | deletion |
| - | Arg 740 | deletion |
| - | Ser 741 | deletion |
| - | Val 742 | deletion |
| - | Arg 743 | deletion |
| - | Ile 744 | deletion |
| - | Gly 745 | deletion |
| - | Tyr 747 | deletion |
| - | Ile 748 | deletion |
| - | Glu 749 | deletion |
| - | Arg 750 | deletion |
| - | Asp 751 | deletion |
| - | Val 752 | deletion |
| - | Thr 753 | deletion |
| Ser 756 | Ile 756 | engineered mutation |
| Asn 762 | Leu 762 | engineered mutation |
| Asp 825 | Val 825 | engineered mutation |
| Ser 844 | Cys 844 | engineered mutation |
| Ser 890 | Leu 890 | 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 | 1 |
| Total formula weight | 38042.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 382.4 | |
| All* | Total formula weight | 38424.5 |
