MolNFT v1 · #101039 · protein
Structure of the KNL1/NSL1 complex
4NF9 · Protein CASC5: “Structure of the KNL1/NSL1 complex”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.50). MolNFT v1 #101039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NF9
- Type
- protein
- Length
- 441 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein CASC5; Kinetochore-associated protein NSL1 homolog
- UniProt
- Q8NG31, Q96IY1
- Ligands
- CL
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein CASC5 | protein | 216 | 41% helix, 28% strand | Q8NG31 |
| B | Protein CASC5 | protein | 207 | 37% helix, 29% strand | Q8NG31 |
| C, D | Kinetochore-associated protein NSL1 homolog | protein | 9 | 0% helix, 11% strand | Q96IY1 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.50 | 0.76 | 34 | empty |
| 2 | 169 | 0.50 | 0.77 | 23 | empty |
| 3 | 53 | 0.32 | 0.77 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 750 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 594 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 585 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4NF9 · Structure of the Knl1/Nsl1 complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NG31 · AlphaFold monomer V2.0 prediction for kinetochore scaffold 1 (Q8NG31) · a predicted model of the same protein · chain B against A, TM-score 0.96
- Q96IY1 · AlphaFold monomer V2.0 prediction for kinetochore-associated protein NSL1 homolog (Q96IY1) · a predicted model of the same protein · chain C against A, TM-score 0.53
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 Q8NG31
- Every structure of UniProt Q96IY1
- Elsewhere: RCSB PDB 4NF9 · PDBe 4NF9 · UniProt Q8NG31 · UniProt Q96IY1
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