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Crystal structure of fha domain of human aplf in complex with XRCC1 bisphospho peptide
Analyse Crystal structure of fha domain of human aplf in complex with XRCC1 bisphospho… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5W7X
- Type
- protein
- Length
- 437 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aprataxin and pnk-like factor; DNA repair protein XRCC1
- EC
- 4.2.99.18
- UniProt
- Q8IW19, P18887
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, B, C | Aprataxin and pnk-like factor (EC 4.2.99.18) | protein | 102 | 0% helix, 46% strand | Q8IW19 |
| A | Aprataxin and pnk-like factor (EC 4.2.99.18) | protein | 101 | 0% helix, 49% strand | Q8IW19 |
| H, F | DNA repair protein XRCC1 | protein | 7 | 0% helix, 0% strand | P18887 |
| E, G | DNA repair protein XRCC1 | protein | 8 | 0% helix, 0% strand | P18887 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 838 | 0.69 | 0.75 | 93 | empty |
| 2 | 442 | 0.60 | 0.75 | 42 | empty |
| 3 | 100 | 0.40 | 0.77 | 20 | empty |
Interfaces
14 interfaces between chains.
- A–E · 469 Ų buried · 14 hydrogen bonds · protein-protein
- D–H · 441 Ų buried · 17 hydrogen bonds · protein-protein
- B–F · 404 Ų buried · 16 hydrogen bonds · protein-protein
- C–G · 395 Ų buried · 13 hydrogen bonds · protein-protein
- D–A · 340 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (phosphorylation).
Compared structures
- 5W7X · Crystal Structure of FHA domain of human APLF in complex with XRCC1 bisphospho peptide · the same entry in another collection · chain G against G, TM-score 1.00
- Q8IW19 · AlphaFold monomer V2.0 prediction for aprataxin and pnk-like factor (Q8IW19) · a predicted model of the same protein · chain B 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 Q8IW19
- Every structure of UniProt P18887
- Elsewhere: RCSB PDB 5W7X · PDBe 5W7X · UniProt Q8IW19 · UniProt P18887
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