MolNFT v1 · #165473 · protein
Crystal structure of TALIN1 R7R8 in complex with CDK1 (206-223)
6TWN · Talin-1: “Crystal structure of TALIN1 R7R8 in complex with CDK1 (206-223)”. X-ray diffraction, 1 ligand (CL), 10 pockets (best druggability 0.69). MolNFT v1 #165473 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TWN
- Type
- protein
- Length
- 649 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Talin-1; Cyclin-dependent kinase 1
- EC
- 2.7.11.22, 2.7.11.23
- UniProt
- P26039, P06493
- Ligands
- CL
- Pockets
- 10 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 82% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Talin-1 | protein | 306 | 83% helix, 1% strand | P26039 |
| B | Talin-1 | protein | 309 | 82% helix, 1% strand | P26039 |
| C, D | Cyclin-dependent kinase 1 (EC 2.7.11.22, 2.7.11.23) | protein | 17 | 76% helix, 0% strand | P06493 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.69 | 0.83 | 60 | empty |
| 2 | 259 | 0.63 | 0.81 | 47 | empty |
| 3 | 89 | 0.45 | 0.80 | 22 | empty |
| 4 | 140 | 0.42 | 0.75 | 27 | empty |
| 5 | 53 | 0.39 | 0.80 | 11 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1524 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 537 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 529 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 183 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 182 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6TWN · Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223) · the same entry in another collection · chain D against D, TM-score 1.00
- P26039 · AlphaFold monomer V2.0 prediction for talin-1 (P26039) · a predicted model of the same protein · chain B against A, TM-score 0.79
- P06493 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 1 (P06493) · a predicted model of the same protein · chain D against A, TM-score 0.68
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 P26039
- Every structure of UniProt P06493
- Elsewhere: RCSB PDB 6TWN · PDBe 6TWN · UniProt P26039 · UniProt P06493
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