MolNFT v1 · #66782 · protein
Structure of the S. pombe NBS1 FHA/BRCT-repeat domain
3I0N · DNA repair and telomere maintenance protein NBS1: “Structure of the S. pombe NBS1 FHA/BRCT-repeat domain”. X-ray diffraction, 7 pockets (best druggability 0.72). MolNFT v1 #66782 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3I0N
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA repair and telomere maintenance protein NBS1
- UniProt
- O43070
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA repair and telomere maintenance protein NBS1 | protein | 320 | 30% helix, 23% strand | O43070 |
| B | DNA repair and telomere maintenance protein NBS1 | protein | 319 | 30% helix, 23% strand | O43070 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 633 | 0.72 | 0.80 | 50 | empty |
| 2 | 1145 | 0.71 | 0.75 | 84 | GOL |
| 3 | 215 | 0.66 | 0.84 | 32 | empty |
| 4 | 218 | 0.51 | 0.76 | 22 | empty |
| 5 | 109 | 0.38 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1135 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (methylation).
Compared structures
- 3I0N · Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain · the same entry in another collection · chain A against A, TM-score 1.00
- O43070 · AlphaFold monomer V2.0 prediction for DNA repair and telomere maintenance protein NBS1… · a predicted model of the same protein · chain A against A, TM-score 0.96
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
- Elsewhere: RCSB PDB 3I0N · PDBe 3I0N · UniProt O43070
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