MolNFT v1 · #57241 · protein
Crystal structure of the human RAD9-HUS1-RAD1 complex
3A1J · Cell cycle checkpoint control protein RAD9A: “Crystal structure of the human RAD9-HUS1-RAD1 complex”. X-ray diffraction, 2 ligands (GLC, FRU), 7 pockets (best druggability 0.70). MolNFT v1 #57241 on GenesisL1: 3D structure, binding…
- PDB
- 3A1J
- Type
- protein
- Length
- 797 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell cycle checkpoint control protein RAD9A; Checkpoint protein HUS1; Cell cycle…
- EC
- 3.1.11.2
- UniProt
- Q99638, O60921, O60671
- Ligands
- GLC, FRU
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell cycle checkpoint control protein RAD9A (EC 3.1.11.2) | protein | 265 | 25% helix, 41% strand | Q99638 |
| B | Checkpoint protein HUS1 | protein | 269 | 23% helix, 42% strand | O60921 |
| C | Cell cycle checkpoint protein RAD1 (EC 3.1.11.2) | protein | 263 | 15% helix, 46% strand | O60671 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.70 | 0.91 | 20 | empty |
| 2 | 89 | 0.63 | 0.90 | 19 | empty |
| 3 | 99 | 0.53 | 0.84 | 23 | empty |
| 4 | 53 | 0.52 | 0.88 | 18 | empty |
| 5 | 60 | 0.38 | 0.80 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 820 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 811 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 706 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 3A1J · Crystal structure of the human Rad9-Hus1-Rad1 complex · the same entry in another collection · chain A against A, TM-score 1.00
- O60671 · AlphaFold monomer V2.0 prediction for cell cycle checkpoint protein RAD1 (O60671) · a predicted model of the same protein · chain C against A, TM-score 0.99
- Q99638 · AlphaFold monomer V2.0 prediction for cell cycle checkpoint control protein RAD9A (Q99638) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O60921 · AlphaFold monomer V2.0 prediction for checkpoint protein HUS1 (O60921) · a predicted model of the same protein · chain B 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 Q99638
- Every structure of UniProt O60921
- Every structure of UniProt O60671
- Elsewhere: RCSB PDB 3A1J · PDBe 3A1J · UniProt Q99638 · UniProt O60921 · UniProt O60671
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