MolNFT v1 · #114111 · protein
Crystal structure of human claudin-4 in complex with C-terminal fragment of clostridium perfringens enterotoxin
5B2G · ENDOLYSIN,CLAUDIN-4: “Crystal structure of human claudin-4 in complex with C-terminal fragment of clostridium perfringens…”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #114111 on GenesisL1: 3D structure…
- PDB
- 5B2G
- Type
- protein
- Length
- 1,839 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ENDOLYSIN,CLAUDIN-4; Heat-labile enterotoxin B chain
- EC
- 3.2.1.17
- UniProt
- P00720, O14493, P01558
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 7 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ENDOLYSIN,CLAUDIN-4 (EC 3.2.1.17) | protein | 332 | 57% helix, 10% strand | P00720, O14493 |
| B | Heat-labile enterotoxin B chain | protein | 117 | 4% helix, 55% strand | P01558 |
| C | ENDOLYSIN,CLAUDIN-4 (EC 3.2.1.17) | protein | 350 | 55% helix, 10% strand | P00720, O14493 |
| D, H | Heat-labile enterotoxin B chain | protein | 124 | 7% helix, 52% strand | P01558 |
| E | ENDOLYSIN,CLAUDIN-4 (EC 3.2.1.17) | protein | 335 | 58% helix, 10% strand | P00720, O14493 |
| F | Heat-labile enterotoxin B chain | protein | 121 | 4% helix, 53% strand | P01558 |
| G | ENDOLYSIN,CLAUDIN-4 (EC 3.2.1.17) | protein | 336 | 56% helix, 11% strand | P00720, O14493 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.83 | 0.84 | 108 | empty |
| 2 | 861 | 0.83 | 0.85 | 103 | empty |
| 3 | 1079 | 0.82 | 0.83 | 106 | empty |
| 4 | 337 | 0.77 | 0.88 | 54 | empty |
| 5 | 99 | 0.73 | 0.94 | 24 | empty |
Interfaces
18 interfaces between chains.
- C–D · 1404 Ų buried · 18 hydrogen bonds · protein-protein
- G–H · 1296 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1280 Ų buried · 2 hydrogen bonds · protein-protein
- E–F · 1240 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1214 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 modified (disulfide, engineered).
Compared structures
- P01558 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin B chain (P01558) · a predicted model of the same protein · chain B against A, TM-score 0.98
- O14493 · AlphaFold monomer V2.0 prediction for claudin-4 (O14493) · a predicted model of the same protein · chain A against A, TM-score 0.50
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 P00720
- Every structure of UniProt O14493
- Every structure of UniProt P01558
- Elsewhere: RCSB PDB 5B2G · PDBe 5B2G · UniProt P00720 · UniProt O14493 · UniProt P01558
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.