MolNFT v1 · #63450 · protein
Crystal structure of the BRCA1 associated ring domain (BARD1) tandem brct domains
3FA2 · BRCA1-associated ring domain protein 1: “Crystal structure of the BRCA1 associated ring domain (BARD1) tandem brct domains”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.73). MolNFT v1 #63450 on GenesisL1: 3D…
- PDB
- 3FA2
- Type
- protein
- Length
- 408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BRCA1-associated ring domain protein 1
- UniProt
- Q99728
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BRCA1-associated ring domain protein 1 | protein | 203 | 33% helix, 16% strand | Q99728 |
| B | BRCA1-associated ring domain protein 1 | protein | 205 | 35% helix, 16% strand | Q99728 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 713 | 0.73 | 0.79 | 61 | empty |
| 2 | 68 | 0.30 | 0.73 | 14 | PO4 |
| 3 | 51 | 0.26 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3FA2 · Crystal Structure of the BRCA1 Associated Ring Domain (BARD1) Tandem BRCT Domains · the same entry in another collection · chain A against A, TM-score 1.00
- Q99728 · AlphaFold monomer V2.0 prediction for BRCA1-associated ring domain protein 1 (Q99728) · a predicted model of the same protein · chain A 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 Q99728
- Elsewhere: RCSB PDB 3FA2 · PDBe 3FA2 · UniProt Q99728
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.