MolNFT v1 · #107786 · protein
Crystal structure of the human CDK12-cyclink complex
4UN0 · Cyclin-K: “Crystal structure of the human CDK12-cyclink complex”. X-ray diffraction, 12 pockets (best druggability 0.66). MolNFT v1 #107786 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UN0
- Type
- protein
- Length
- 1,062 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-K; Cyclin-dependent kinase 12
- EC
- 2.7.11.22
- UniProt
- O75909, Q9NYV4
- Pockets
- 12 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-K | protein | 239 | 67% helix, 0% strand | O75909 |
| B | Cyclin-K | protein | 237 | 67% helix, 0% strand | O75909 |
| C | Cyclin-dependent kinase 12 (EC 2.7.11.22) | protein | 309 | 31% helix, 16% strand | Q9NYV4 |
| D | Cyclin-dependent kinase 12 (EC 2.7.11.22) | protein | 277 | 33% helix, 15% strand | Q9NYV4 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.66 | 0.81 | 29 | empty |
| 2 | 336 | 0.65 | 0.80 | 40 | empty |
| 3 | 239 | 0.53 | 0.76 | 43 | empty |
| 4 | 249 | 0.52 | 0.76 | 31 | empty |
| 5 | 111 | 0.49 | 0.80 | 28 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1015 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 735 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 374 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 66 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 17 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 4UN0 · Crystal structure of the human CDK12-cyclinK complex · the same entry in another collection · chain C against C, TM-score 1.00
- O75909 · AlphaFold monomer V2.0 prediction for cyclin-K (O75909) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q9NYV4 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 12 (Q9NYV4) · a predicted model of the same protein · chain D against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O75909
- Every structure of UniProt Q9NYV4
- Elsewhere: RCSB PDB 4UN0 · PDBe 4UN0 · UniProt O75909 · UniProt Q9NYV4
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