9HJ0
Cryo-EM structure of CAK (CDK7 D97N mutant) in complex with Samuraciclib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (H) | CDK-activating kinase assembly factor MAT1 | polymer | 93 | 10234.5 | 1 | UniProt (P51948) | Homo sapiens (human) | CDK7/cyclin-H assembly factor,Cyclin-G1-interacting protein,Menage a trois,RING finger protein 66,RING finger protein MAT1,p35,p36 |
| 2 | B (I) | Cyclin-H | polymer | 324 | 37721.5 | 1 | UniProt (P51946) Pfam (PF00134) Pfam (PF16899) | Homo sapiens (human) | MO15-associated protein,p34,p37 |
| 3 | C (J) | Cyclin-dependent kinase 7 | polymer | 349 | 39361.6 | 1 | UniProt (P50613) Pfam (PF00069) | Homo sapiens (human) | 39 kDa protein kinase,p39 Mo15,CDK-activating kinase 1,Cell division protein kinase 7,Serine/threonine-protein kinase 1,TFIIH basal transcription factor complex kinase subunit |
| 4 | D (J) | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol | non-polymer | 394.5 | 1 | Chemie (I74) | |||
| 5 | E, F, G (H, I, J) | water | water | 18.0 | 39 | Chemie (HOH) |
Sequence modifications
H: 220 - 309 (UniProt: P51948)
I: 1 - 323 (UniProt: P51946)
J: 1 - 346 (UniProt: P50613)
| PDB | External Database | Details |
|---|---|---|
| Ser 217 | - | expression tag |
| Asn 218 | - | expression tag |
| Ala 219 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ace 0 | - | acetylation |
| PDB | External Database | Details |
|---|---|---|
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Asn 97 | Asp 97 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 87317.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 394.5 | |
| All* | Total formula weight | 87712.2 |
