Research workbench
Crystal structure of a covalently fused NBS1-MRE11 complex with two manganese ions per active site
Analyse Crystal structure of a covalently fused NBS1-MRE11 complex with two manganese… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FBQ
- Type
- protein
- Length
- 820 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA repair and telomere maintenance protein NBS1,DNA repair protein RAD32 chimeric protein
- UniProt
- O43070, Q09683
- Ligands
- MN
- Pockets
- 5 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA repair and telomere maintenance protein NBS1,DNA repair protein RAD32 chimeric protein | protein | 418 | 24% helix, 27% strand | O43070, Q09683 |
| B | DNA repair and telomere maintenance protein NBS1,DNA repair protein RAD32 chimeric protein | protein | 402 | 24% helix, 26% strand | O43070, Q09683 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.47 | 0.82 | 20 | empty |
| 2 | 90 | 0.47 | 0.81 | 22 | empty |
| 3 | 92 | 0.35 | 0.74 | 23 | empty |
| 4 | 66 | 0.28 | 0.73 | 15 | empty |
| 5 | 55 | 0.26 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1724 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4FBQ · Crystal structure of a covalently fused Nbs1-Mre11 complex with two manganese ions per… · the same entry in another collection · chain A against A, TM-score 1.00
- Q09683 · AlphaFold monomer V2.0 prediction for DNA repair protein RAD32 (Q09683) · a predicted model of the same protein · chain B against A, TM-score 0.95
- O43070 · AlphaFold monomer V2.0 prediction for DNA repair and telomere maintenance protein NBS1… · a predicted model of the same protein · chain B against A, TM-score 0.25
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 O43070
- Every structure of UniProt Q09683
- Elsewhere: RCSB PDB 4FBQ · PDBe 4FBQ · UniProt O43070 · UniProt Q09683
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