MolNFT v1 · #123253 · protein
Apo-structure of humanised rada-mutant HUMRADA33F
5JEC · DNA repair and recombination protein rada: “Apo-structure of humanised rada-mutant HUMRADA33F”. X-ray diffraction, 2 ligands (CL, SO4), 4 pockets (best druggability 0.60). MolNFT v1 #123253 on GenesisL1: 3D structure, binding sites…
- PDB
- 5JEC
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA repair and recombination protein rada
- UniProt
- O74036
- Ligands
- CL, SO4
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA repair and recombination protein rada | protein | 226 | 37% helix, 25% strand | O74036 |
| B | DNA repair and recombination protein rada | protein | 230 | 37% helix, 26% strand | O74036 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.60 | 0.81 | 38 | CL |
| 2 | 177 | 0.48 | 0.76 | 27 | empty |
| 3 | 109 | 0.41 | 0.77 | 23 | SO4 |
| 4 | 51 | 0.34 | 0.79 | 15 | SO4 |
Interfaces
1 interface between chains.
- A–B · 855 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5JEC · Apo-structure of humanised RadA-mutant humRadA33F · the same entry in another collection · chain B against B, TM-score 1.00
- O74036 · AlphaFold monomer V2.0 prediction for DNA repair and recombination protein rada (O74036) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 O74036
- Elsewhere: RCSB PDB 5JEC · PDBe 5JEC · UniProt O74036
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