MolNFT v1 · #159605 · protein
Crystal structure of human claudin-9 in complex with clostridium perfringens entertoxin C-terminal domain in closed form
6OV2: “Crystal structure of human claudin-9 in complex with clostridium perfringens entertoxin C-terminal domain in…”. X-ray diffraction, 2 pockets (best druggability 0.77). MolNFT v1 #159605 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OV2
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Claudin-9; Heat-labile enterotoxin B chain
- UniProt
- O95484, P01558
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Claudin-9 | protein | 182 | 57% helix, 12% strand | O95484 |
| B | Heat-labile enterotoxin B chain | protein | 127 | 7% helix, 50% strand | P01558 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.77 | 0.86 | 50 | empty |
| 2 | 71 | 0.30 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1364 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6OV2 · Crystal structure of human claudin-9 in complex with Clostridium perfringens entertoxin… · the same entry in another collection · chain A against A, TM-score 1.00
- O95484 · AlphaFold monomer V2.0 prediction for claudin-9 (O95484) · a predicted model of the same protein · chain A against A, TM-score 0.94
- 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 0.93
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 O95484
- Every structure of UniProt P01558
- Elsewhere: RCSB PDB 6OV2 · PDBe 6OV2 · UniProt O95484 · UniProt P01558
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