MolNFT v1 · #46339 · protein
Structure of the extended diarrhea-inducing domain of rotavirus enterotoxigenic protein NSP4
2O1J · Nonstructural protein NSP4: “Structure of the extended diarrhea-inducing domain of rotavirus enterotoxigenic protein NSP4”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.52). MolNFT v1 #46339 on GenesisL1: 3D…
- PDB
- 2O1J
- Type
- protein
- Length
- 174 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nonstructural protein NSP4
- UniProt
- Q9PYC1
- Ligands
- CA
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Nonstructural protein NSP4 | protein | 44 | 86% helix, 0% strand | Q9PYC1 |
| B, D | Nonstructural protein NSP4 | protein | 43 | 95% helix, 0% strand | Q9PYC1 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.52 | 0.85 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1028 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1010 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 954 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 942 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 153 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2O1J · Structure of the extended diarrhea-inducing domain of rotavirus enterotoxigenic protein… · the same entry in another collection · chain A against A, 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 Q9PYC1
- Elsewhere: RCSB PDB 2O1J · PDBe 2O1J · UniProt Q9PYC1
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