MolNFT v1 · #111711 · protein
Crystal structure of the zo-1 PDZ1 domain in complex with the 7-mer CLAUDIN2 C-terminal tail
4YYX · Tight junction protein zo-1 fused with claudin-2 C- terminal: “Crystal structure of the zo-1 PDZ1 domain in complex with the 7-mer CLAUDIN2 C-terminal tail”. X-ray diffraction, 3 pockets (best druggability 0.32). MolNFT v1 #111711…
- PDB
- 4YYX
- Type
- protein
- Length
- 209 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tight junction protein zo-1 fused with claudin-2 C- terminal
- UniProt
- Q07157, P57739
- Pockets
- 3 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tight junction protein zo-1 fused with claudin-2 C- terminal | protein | 104 | 9% helix, 33% strand | Q07157, P57739 |
| B | Tight junction protein zo-1 fused with claudin-2 C- terminal | protein | 105 | 9% helix, 32% strand | Q07157, P57739 |
Ligands and binding sites
- FMT · Formic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.32 | 0.76 | 12 | empty |
| 2 | 59 | 0.31 | 0.76 | 12 | empty |
| 3 | 51 | 0.24 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 22 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4YYX · Crystal structure of the ZO-1 PDZ1 domain in complex with the 7-mer Claudin2 C-terminal… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07157 · AlphaFold monomer V2.0 prediction for tight junction protein zo-1 (Q07157) · a predicted model of the same protein · chain A against A, TM-score 0.86
- P57739 · AlphaFold monomer V2.0 prediction for claudin-2 (P57739) · a predicted model of the same protein · chain B against A, TM-score 0.32
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 Q07157
- Every structure of UniProt P57739
- Elsewhere: RCSB PDB 4YYX · PDBe 4YYX · UniProt Q07157 · UniProt P57739
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