Research workbench
Crystal structure of the PDZ3-SH3-guk core module of human zo-1
Analyse Crystal structure of the PDZ3-SH3-guk core module of human zo-1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TSW
- Type
- protein
- Length
- 1,064 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tight junction protein zo-1
- UniProt
- Q07157
- Ligands
- SO4
- Pockets
- 19 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tight junction protein zo-1 | protein | 334 | 28% helix, 27% strand | Q07157 |
| B | Tight junction protein zo-1 | protein | 194 | 16% helix, 39% strand | Q07157 |
| C | Tight junction protein zo-1 | protein | 337 | 27% helix, 26% strand | Q07157 |
| D | Tight junction protein zo-1 | protein | 199 | 17% helix, 31% strand | Q07157 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.83 | 0.85 | 122 | SO4 |
| 2 | 1067 | 0.79 | 0.81 | 93 | SO4 |
| 3 | 323 | 0.70 | 0.83 | 42 | empty |
| 4 | 323 | 0.67 | 0.82 | 34 | empty |
| 5 | 468 | 0.62 | 0.76 | 53 | empty |
Interfaces
5 interfaces between chains.
- A–D · 1288 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1193 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1140 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 862 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 794 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3TSW · crystal structure of the PDZ3-SH3-GUK core module of Human ZO-1 · the same entry in another collection · chain D against D, 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 0.94
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
- Elsewhere: RCSB PDB 3TSW · PDBe 3TSW · UniProt Q07157
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