MolNFT v1 · #183561 · protein
Vaccinia virus protein 018 in complex with STAT1
7NUF · Signal transducer and activator of transcription 1…: “Vaccinia virus protein 018 in complex with STAT1”. X-ray diffraction, 2 ligands (ACE, SO4), 7 pockets (best druggability 0.50). MolNFT v1 #183561 on GenesisL1: 3D structure…
- PDB
- 7NUF
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Signal transducer and activator of transcription 1- ALPHA/BETA; Uncharacterized protein 18
- UniProt
- P42224, P17356
- Ligands
- ACE, SO4
- Pockets
- 7 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Signal transducer and activator of transcription 1- ALPHA/BETA | protein | 522 | 50% helix, 19% strand | P42224 |
| C | Uncharacterized protein 18 | protein | 20 | 0% helix, 65% strand | P17356 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.50 | 0.85 | 18 | empty |
| 2 | 69 | 0.45 | 0.82 | 18 | SO4 |
| 3 | 118 | 0.42 | 0.76 | 21 | empty |
| 4 | 100 | 0.40 | 0.76 | 29 | empty |
| 5 | 97 | 0.38 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–C · 676 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7NUF · Vaccinia virus protein 018 in complex with STAT1 · the same entry in another collection · chain A against A, TM-score 1.00
- P42224 · AlphaFold monomer V2.0 prediction for signal transducer and activator of transcription… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P42224
- Every structure of UniProt P17356
- Elsewhere: RCSB PDB 7NUF · PDBe 7NUF · UniProt P42224 · UniProt P17356
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