MolNFT v1 · #59311 · protein
Crystal structure of TRF2 trfh domain and TIN2 peptide complex
3BU8 · Telomeric repeat-binding factor 2: “Crystal structure of TRF2 trfh domain and TIN2 peptide complex”. X-ray diffraction, 3 pockets (best druggability 0.80). MolNFT v1 #59311 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3BU8
- Type
- protein
- Length
- 436 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Telomeric repeat-binding factor 2; TERF1-interacting nuclear factor 2
- UniProt
- Q15554, Q9BSI4
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 65% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Telomeric repeat-binding factor 2 | protein | 204 | 70% helix, 1% strand | Q15554 |
| B | Telomeric repeat-binding factor 2 | protein | 207 | 69% helix, 0% strand | Q15554 |
| C | TERF1-interacting nuclear factor 2 | protein | 15 | 0% helix, 13% strand | Q9BSI4 |
| D | TERF1-interacting nuclear factor 2 | protein | 10 | 0% helix, 0% strand | Q9BSI4 |
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 | 1127 | 0.80 | 0.81 | 81 | empty |
| 2 | 151 | 0.53 | 0.80 | 17 | empty |
| 3 | 179 | 0.53 | 0.79 | 27 | empty |
Interfaces
4 interfaces between chains.
- A–C · 878 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 736 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 548 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 139 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3BU8 · Crystal Structure of TRF2 TRFH domain and TIN2 peptide complex · the same entry in another collection · chain B against B, TM-score 1.00
- Q15554 · AlphaFold monomer V2.0 prediction for telomeric repeat-binding factor 2 (Q15554) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9BSI4 · AlphaFold monomer V2.0 prediction for TERF1-interacting nuclear factor 2 (Q9BSI4) · a predicted model of the same protein · chain C against A, TM-score 0.34
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 Q15554
- Every structure of UniProt Q9BSI4
- Elsewhere: RCSB PDB 3BU8 · PDBe 3BU8 · UniProt Q15554 · UniProt Q9BSI4
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