8PQB
c-KIT kinase domain in complex with avapritinib derivative 8
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Mast/stem cell growth factor receptor Kit | polymer | 327 | 37194.4 | 1 | UniProt (P10721) Pfam (PF07714) In PDB | 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 | A | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine | non-polymer | 526.6 | 1 | Chemie (9XO) | |||
3 | water | water | 18.0 | 154 | Chemie (HOH) |
Sequence modifications
A: 551 - 687 (UniProt: P10721)
A: 766 - 934 (UniProt: P10721)
PDB | External Database | Details |
---|---|---|
Gly 548 | - | expression tag |
Ser 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 |
PDB | External Database | Details |
---|---|---|
Glu 688 | - | linker |
Phe 689 | - | linker |
Val 690 | - | linker |
Pro 691 | - | linker |
Tyr 692 | - | linker |
Lys 753 | - | linker |
Val 754 | - | linker |
Ala 755 | - | linker |
Pro 756 | - | linker |
Glu 757 | - | linker |
Asp 758 | - | linker |
Leu 759 | - | linker |
Tyr 760 | - | linker |
Lys 761 | - | linker |
Asp 762 | - | linker |
Phe 763 | - | linker |
Leu 764 | - | linker |
Thr 765 | - | linker |
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 | 1 |
Total formula weight | 37194.4 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 526.6 | |
All* | Total formula weight | 37721.0 |