MolNFT v1 · #94377 · protein
Structure and function of avtr, a novel transcriptional regulator from a hyperthermophilic archaeal lipothrixvirus
4HV0: “Structure and function of avtr, a novel transcriptional regulator from a hyperthermophilic archaeal…”. X-ray diffraction, 5 pockets (best druggability 0.80). MolNFT v1 #94377 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4HV0
- Type
- protein
- Length
- 372 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Avtr
- UniProt
- A7WKI3
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Avtr | protein | 91 | 55% helix, 15% strand | A7WKI3 |
| B | Avtr | protein | 92 | 54% helix, 15% strand | A7WKI3 |
| C | Avtr | protein | 90 | 54% helix, 17% strand | A7WKI3 |
| D | Avtr | protein | 99 | 54% helix, 14% strand | A7WKI3 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.80 | 0.84 | 51 | empty |
| 2 | 614 | 0.70 | 0.78 | 52 | empty |
| 3 | 559 | 0.69 | 0.78 | 45 | empty |
| 4 | 145 | 0.51 | 0.80 | 26 | empty |
| 5 | 60 | 0.29 | 0.74 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 834 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 568 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 565 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4HV0 · Structure and Function of AvtR, a Novel Transcriptional Regulator from a… · 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 A7WKI3
- Elsewhere: RCSB PDB 4HV0 · PDBe 4HV0 · UniProt A7WKI3
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