8H4R
The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Glutathione S-transferase class-mu 26 kDa isozyme,Cyclin-dependent kinase 3 | polymer | 533 | 61776.5 | 1 | UniProt (P08515) UniProt (Q00526) Pfam (PF02798) Pfam (PF14497) Pfam (PF00069) | Schistosoma japonicum (Blood fluke) | GST 26,Sj26 antigen,SjGST,Cell division protein kinase 3 |
| 2 | B (B) | G1/S-specific cyclin-E1 | polymer | 305 | 35718.3 | 1 | UniProt (P24864) Pfam (PF00134) Pfam (PF02984) | Homo sapiens (human) | |
| 3 | C (A) | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | non-polymer | 397.5 | 1 | Chemie (1QK) | |||
| 4 | D, F, G, H, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | E, L (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | K (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 7 | M, N (A, B) | water | water | 18.0 | 273 | Chemie (HOH) |
Sequence modifications
A: -227 - -10 (UniProt: P08515)
A: 1 - 305 (UniProt: Q00526)
B: 96 - 378 (UniProt: P24864)
| PDB | External Database | Details |
|---|---|---|
| Ser -9 | - | linker |
| Asp -8 | - | linker |
| Leu -7 | - | linker |
| Glu -6 | - | linker |
| Val -5 | - | linker |
| Leu -4 | - | linker |
| Phe -3 | - | linker |
| Gln -2 | - | linker |
| Gly -1 | - | linker |
| Pro 0 | - | linker |
B: 96 - 378 (UniProt: P24864)
| PDB | External Database | Details |
|---|---|---|
| Met 74 | - | initiating methionine |
| Asp 75 | - | expression tag |
| Tyr 76 | - | expression tag |
| Lys 77 | - | expression tag |
| Asp 78 | - | expression tag |
| Asp 79 | - | expression tag |
| Asp 80 | - | expression tag |
| Asp 81 | - | expression tag |
| Lys 82 | - | expression tag |
| His 83 | - | expression tag |
| His 84 | - | expression tag |
| His 85 | - | expression tag |
| His 86 | - | expression tag |
| His 87 | - | expression tag |
| His 88 | - | expression tag |
| Glu 89 | - | expression tag |
| Asn 90 | - | expression tag |
| Leu 91 | - | expression tag |
| Tyr 92 | - | expression tag |
| Phe 93 | - | expression tag |
| Gln 94 | - | expression tag |
| Gly 95 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97494.8 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1353.3 | |
| All* | Total formula weight | 98848.1 |
