MolNFT v1 · #110584 · protein
Structure of BRCA1 brct domains in complex with abraxas double phosphorylated peptide
4Y18 · Breast cancer type 1 susceptibility protein: “Structure of BRCA1 brct domains in complex with abraxas double phosphorylated peptide”. X-ray diffraction, 11 pockets (best druggability 0.78). MolNFT v1 #110584 on GenesisL1: 3D…
- PDB
- 4Y18
- Type
- protein
- Length
- 1,769 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Breast cancer type 1 susceptibility protein; BRCA1-a complex subunit abraxas
- EC
- 6.3.2.-
- UniProt
- P38398, Q6UWZ7
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 6 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 214 | 36% helix, 20% strand | P38398 |
| D | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 213 | 36% helix, 18% strand | P38398 |
| G, H | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 211 | 37% helix, 18% strand | P38398 |
| I, J, K | BRCA1-a complex subunit abraxas | protein | 9 | 0% helix, 11% strand | Q6UWZ7 |
| L, M | BRCA1-a complex subunit abraxas | protein | 8 | 0% helix, 0% strand | Q6UWZ7 |
| N, O, P | BRCA1-a complex subunit abraxas | protein | 7 | 0% helix, 14% strand | Q6UWZ7 |
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 631 | 0.78 | 0.84 | 62 | empty |
| 2 | 1042 | 0.74 | 0.78 | 97 | empty |
| 3 | 614 | 0.70 | 0.79 | 43 | empty |
| 4 | 564 | 0.70 | 0.79 | 46 | empty |
| 5 | 518 | 0.70 | 0.79 | 47 | empty |
Interfaces
22 interfaces between chains.
- B–C · 802 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 751 Ų buried · 7 hydrogen bonds · protein-protein
- A–E · 710 Ų buried · 11 hydrogen bonds · protein-protein
- A–F · 653 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 630 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (phosphorylation).
Compared structures
- 4Y18 · Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide · the same entry in another collection · chain K against K, TM-score 1.00
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 P38398
- Every structure of UniProt Q6UWZ7
- Elsewhere: RCSB PDB 4Y18 · PDBe 4Y18 · UniProt P38398 · UniProt Q6UWZ7
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