MolNFT v1 · #80589 · protein
The structure of a protein with a gntr superfamily winged-helix-turn- helix domain from halomicrobium mukohataei.
3U1D · Uncharacterized protein: “The structure of a protein with a gntr superfamily winged-helix-turn- helix domain from halomicrobium…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.36). MolNFT v1 #80589 on GenesisL1…
- PDB
- 3U1D
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- C7P2E9
- Ligands
- CL
- Pockets
- 3 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 148 | 49% helix, 9% strand | C7P2E9 |
| B | Uncharacterized protein | protein | 143 | 52% helix, 8% strand | C7P2E9 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.36 | 0.79 | 16 | empty |
| 2 | 59 | 0.35 | 0.78 | 17 | PEG |
| 3 | 78 | 0.33 | 0.75 | 17 | EDO |
Interfaces
1 interface between chains.
- A–B · 1243 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 3U1D · The structure of a protein with a GntR superfamily winged-helix-turn-helix domain from… · 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 C7P2E9
- Elsewhere: RCSB PDB 3U1D · PDBe 3U1D · UniProt C7P2E9
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