8FKO
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D, E... | Mitogen-activated protein kinase kinase kinase kinase 1 | polymer | 331 | 37141.7 | 6 | UniProt (Q92918) Pfam (PF00069) In PDB | Homo sapiens (human) | Hematopoietic progenitor kinase,MAPK/ERK kinase kinase kinase 1,MEK kinase kinase 1,MEKKK 1 |
2 | A, B, C, D, E | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | non-polymer | 366.8 | 5 | Chemie (Y3O) | |||
3 | water | water | 18.0 | 733 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 307 (UniProt: Q92918)
PDB | External Database | Details |
---|---|---|
Met -23 | - | expression tag |
Ala -22 | - | expression tag |
Ser -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
Asp -14 | - | expression tag |
Tyr -13 | - | expression tag |
Asp -12 | - | expression tag |
Gly -11 | - | expression tag |
Ala -10 | - | expression tag |
Thr -9 | - | expression tag |
Thr -8 | - | expression tag |
Glu -7 | - | expression tag |
Asn -6 | - | expression tag |
Leu -5 | - | expression tag |
Tyr -4 | - | expression tag |
Phe -3 | - | expression tag |
Gln -2 | - | expression tag |
Gly -1 | - | expression tag |
Ser 0 | - | expression tag |
Glu 165 | Thr 165 | engineered mutation |
Glu 171 | Ser 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 6 |
Total formula weight | 222849.9 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1834.2 | |
All* | Total formula weight | 224684.2 |