MolNFT v1 · #142938 · protein
Crystal structure of mouse claudin-3 P134G mutant in complex with C- terminal fragment of clostridium perfringens enterotoxin
6AKG: “Crystal structure of mouse claudin-3 P134G mutant in complex with C- terminal fragment of clostridium…”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #142938 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6AKG
- Type
- protein
- Length
- 602 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Claudin-3; Heat-labile enterotoxin B chain
- UniProt
- Q9Z0G9, P01558
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Claudin-3 | protein | 184 | 57% helix, 11% strand | Q9Z0G9 |
| B, D | Heat-labile enterotoxin B chain | protein | 117 | 7% helix, 44% strand | P01558 |
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 | 557 | 0.69 | 0.78 | 71 | empty |
| 2 | 244 | 0.53 | 0.76 | 37 | empty |
| 3 | 213 | 0.51 | 0.76 | 38 | empty |
| 4 | 192 | 0.49 | 0.76 | 31 | empty |
| 5 | 64 | 0.38 | 0.78 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1128 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 1117 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1110 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6AKG · Crystal structure of mouse claudin-3 P134G mutant in complex with C-terminal fragment of… · the same entry in another collection · chain D against D, TM-score 1.00
- P01558 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin B chain (P01558) · a predicted model of the same protein · chain D against A, TM-score 0.97
- Q9Z0G9 · AlphaFold monomer V2.0 prediction for claudin-3 (Q9Z0G9) · a predicted model of the same protein · chain C against A, TM-score 0.91
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 Q9Z0G9
- Every structure of UniProt P01558
- Elsewhere: RCSB PDB 6AKG · PDBe 6AKG · UniProt Q9Z0G9 · UniProt P01558
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