MolNFT v1 · #60675 · protein
The crystal structure of zo-1 PDZ2 in complex with the CX43 peptide
3CYY · Tight junction protein zo-1: “The crystal structure of zo-1 PDZ2 in complex with the CX43 peptide”. X-ray diffraction, 1 pocket (best druggability 0.29). MolNFT v1 #60675 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3CYY
- Type
- protein
- Length
- 179 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tight junction protein zo-1; Peptide from gap junction alpha-1 protein
- UniProt
- Q07157, P08050
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tight junction protein zo-1 | protein | 80 | 16% helix, 40% strand | Q07157 |
| B | Tight junction protein zo-1 | protein | 81 | 17% helix, 40% strand | Q07157 |
| C, D | Peptide from gap junction alpha-1 protein | protein | 9 | 0% helix, 22% strand | P08050 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.29 | 0.75 | 12 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2466 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 446 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 440 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 272 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 261 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3CYY · The crystal structure of ZO-1 PDZ2 in complex with the Cx43 peptide · 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 B against A, TM-score 0.68
- P08050 · AlphaFold monomer V2.0 prediction for gap junction alpha-1 protein (P08050) · a predicted model of the same protein · chain C against A, TM-score 0.47
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 P08050
- Elsewhere: RCSB PDB 3CYY · PDBe 3CYY · UniProt Q07157 · UniProt P08050
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