MolNFT v1 · #105736 · protein
Crystal structure of human TEAD1 and disulfide-engineered yap
4RE1 · Transcriptional enhancer factor tef-1: “Crystal structure of human TEAD1 and disulfide-engineered yap”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.83). MolNFT v1 #105736 on GenesisL1: 3D structure, binding…
- PDB
- 4RE1
- Type
- protein
- Length
- 505 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional enhancer factor tef-1; Yorkie homolog
- UniProt
- P28347, P46937
- Ligands
- CL
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional enhancer factor tef-1 | protein | 206 | 17% helix, 53% strand | P28347 |
| B | Transcriptional enhancer factor tef-1 | protein | 202 | 17% helix, 54% strand | P28347 |
| C | Yorkie homolog | protein | 50 | 40% helix, 12% strand | P46937 |
| D | Yorkie homolog | protein | 47 | 43% helix, 9% strand | P46937 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.83 | 0.94 | 37 | empty |
| 2 | 239 | 0.82 | 0.94 | 38 | empty |
| 3 | 300 | 0.54 | 0.75 | 40 | empty |
| 4 | 54 | 0.33 | 0.78 | 17 | empty |
| 5 | 72 | 0.29 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1669 Ų buried · 30 hydrogen bonds · protein-protein
- A–D · 1582 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 627 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4RE1 · Crystal structure of human TEAD1 and disulfide-engineered YAP · the same entry in another collection · chain D against D, TM-score 1.00
- P28347 · AlphaFold monomer V2.0 prediction for transcriptional enhancer factor tef-1 (P28347) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P46937 · AlphaFold monomer V2.0 prediction for transcriptional coactivator YAP1 (P46937) · a predicted model of the same protein · chain D against A, TM-score 0.46
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 P28347
- Every structure of UniProt P46937
- Elsewhere: RCSB PDB 4RE1 · PDBe 4RE1 · UniProt P28347 · UniProt P46937
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