Research workbench
Impact of BRCA1 brct domain missense substitutions on phospho-peptide recognition: E1836K
Analyse Impact of BRCA1 brct domain missense substitutions on phospho-peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PXE
- Type
- protein
- Length
- 865 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Breast cancer type 1 susceptibility protein; Phospho peptide
- EC
- 6.3.2.-
- UniProt
- P38398
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 7 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 211 | 37% helix, 19% strand | P38398 |
| B | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 213 | 36% helix, 20% strand | P38398 |
| C | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 211 | 33% helix, 18% strand | P38398 |
| D | Breast cancer type 1 susceptibility protein (EC 6.3.2.-) | protein | 206 | 34% helix, 19% strand | P38398 |
| E | Phospho peptide | protein | 7 | 0% helix, 14% strand | — |
| F | Phospho peptide | protein | 5 | 0% helix, 20% strand | — |
| G, H | Phospho peptide | protein | 6 | 0% helix, 17% strand | — |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.70 | 0.79 | 47 | empty |
| 2 | 544 | 0.68 | 0.78 | 49 | empty |
| 3 | 499 | 0.60 | 0.74 | 49 | empty |
Interfaces
7 interfaces between chains.
- A–B · 724 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 664 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 470 Ų buried · 6 hydrogen bonds · protein-protein
- B–F · 438 Ų buried · 7 hydrogen bonds · protein-protein
- D–H · 414 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 3PXE · Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K · the same entry in another collection · chain H against H, TM-score 1.00
- P38398 · AlphaFold monomer V2.0 prediction for breast cancer type 1 susceptibility protein (P38398) · a predicted model of the same protein · chain D against A, TM-score 0.99
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
- Elsewhere: RCSB PDB 3PXE · PDBe 3PXE · UniProt P38398
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