MolNFT v1 · #103079 · protein
Structure of clostridium perfringens enterotoxin with a peptide derived from a modified version of ecl-2 of claudin 2
4P5H · Claudin-2: “Structure of clostridium perfringens enterotoxin with a peptide derived from a modified version of ecl-2 of…”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #103079 on GenesisL1: 3D structure, binding…
- PDB
- 4P5H
- Type
- protein
- Length
- 4,425 residues
- Chains
- 30
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Claudin-2; Heat-labile enterotoxin B chain
- UniProt
- O88552, P01558
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1, 2, 3, 4, P, Q, R, S, T, U, V, W, X, Y, Z | Claudin-2 | protein | 9 | 0% helix, 0% strand | O88552 |
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O | Heat-labile enterotoxin B chain | protein | 286 | 9% helix, 55% strand | P01558 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.85 | 0.86 | 135 | empty |
| 2 | 961 | 0.85 | 0.86 | 117 | empty |
| 3 | 980 | 0.85 | 0.86 | 138 | empty |
| 4 | 756 | 0.83 | 0.86 | 95 | empty |
| 5 | 1189 | 0.81 | 0.82 | 123 | empty |
Interfaces
43 interfaces between chains.
- M–O · 1012 Ų buried · 13 hydrogen bonds · protein-protein
- N–O · 978 Ų buried · 14 hydrogen bonds · protein-protein
- G–I · 967 Ų buried · 12 hydrogen bonds · protein-protein
- G–H · 954 Ų buried · 18 hydrogen bonds · protein-protein
- J–L · 945 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4P5H · Structure of Clostridium perfringens Enterotoxin with a peptide derived from a modified… · the same entry in another collection · chain G against G, TM-score 1.00
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 O88552
- Every structure of UniProt P01558
- Elsewhere: RCSB PDB 4P5H · PDBe 4P5H · UniProt O88552 · UniProt P01558
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