MolNFT v1 · #75156 · protein
Otu domain of crimean congo hemorrhagic fever virus in complex with ISG15
3PHX · RNA-directed RNA polymerase L: “Otu domain of crimean congo hemorrhagic fever virus in complex with ISG15”. X-ray diffraction, 2 ligands (NEH, ZN), 2 pockets (best druggability 0.46). MolNFT v1 #75156 on GenesisL1: 3D structure…
- PDB
- 3PHX
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-directed RNA polymerase L; Ubiquitin-like protein ISG15
- EC
- 3.4.19.12, 2.7.7.48
- UniProt
- Q6TQR6, P05161
- Ligands
- NEH, ZN
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-directed RNA polymerase L (EC 3.4.19.12, 2.7.7.48) | protein | 162 | 38% helix, 23% strand | Q6TQR6 |
| B | Ubiquitin-like protein ISG15 | protein | 77 | 25% helix, 36% strand | P05161 |
Ligands and binding sites
- NEH · Ethanamine · ligand · chains A, B
- ZN · Zinc ion · metal · 12 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.46 | 0.77 | 21 | empty |
| 2 | 64 | 0.43 | 0.82 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1054 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3PHX · OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with ISG15 · the same entry in another collection · chain A against A, TM-score 1.00
- P05161 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (P05161) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q6TQR6
- Every structure of UniProt P05161
- Elsewhere: RCSB PDB 3PHX · PDBe 3PHX · UniProt Q6TQR6 · UniProt P05161
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