Research workbench
Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from homo sapiens at 2.52 a resolution
Analyse Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from homo sapiens at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OLE
- Type
- protein
- Length
- 480 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Next to BRCA1 gene 1 protein
- UniProt
- Q14596
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 2% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Next to BRCA1 gene 1 protein | protein | 122 | 3% helix, 54% strand | Q14596 |
| B | Next to BRCA1 gene 1 protein | protein | 120 | 3% helix, 55% strand | Q14596 |
| C, D | Next to BRCA1 gene 1 protein | protein | 119 | 0% helix, 52% strand | Q14596 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, C, D, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.67 | 0.76 | 57 | EDO, SO4 |
| 2 | 153 | 0.50 | 0.79 | 27 | SO4, EDO |
Interfaces
5 interfaces between chains.
- A–B · 770 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 292 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 197 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 186 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 131 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4OLE · Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A… · the same entry in another collection · chain A against A, TM-score 1.00
- Q14596 · AlphaFold monomer V2.0 prediction for next to BRCA1 gene 1 protein (Q14596) · a predicted model of the same protein · chain C 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 Q14596
- Elsewhere: RCSB PDB 4OLE · PDBe 4OLE · UniProt Q14596
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