MolNFT v1 · #79846 · protein
Crystal structure of an H-nox protein from nostoc sp. pcc 7120, L66W mutant under 6 atm of xenon
3TFE · ALR2278 protein: “Crystal structure of an H-nox protein from nostoc sp. pcc 7120, L66W mutant under 6 atm of xenon”. X-ray diffraction, 2 ligands (HEM, XE), 6 pockets (best druggability 0.84). MolNFT v1 #79846 on GenesisL1: 3D…
- PDB
- 3TFE
- Type
- protein
- Length
- 365 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR2278 protein
- UniProt
- Q8YUQ7
- Ligands
- HEM, XE
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALR2278 protein | protein | 183 | 52% helix, 18% strand | Q8YUQ7 |
| B | ALR2278 protein | protein | 182 | 53% helix, 17% strand | Q8YUQ7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- XE · Xenon · ion · 4 copies · chains A, B
- MLA · Malonic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.84 | 0.92 | 37 | HEM, XE |
| 2 | 384 | 0.83 | 0.91 | 58 | HEM, XE |
| 3 | 132 | 0.56 | 0.82 | 32 | XE |
| 4 | 170 | 0.50 | 0.78 | 22 | empty |
| 5 | 145 | 0.49 | 0.78 | 24 | MLA |
Interfaces
1 interface between chains.
- A–B · 1025 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3TFE · Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120, L66W mutant under 6 atm… · 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 Q8YUQ7
- Elsewhere: RCSB PDB 3TFE · PDBe 3TFE · UniProt Q8YUQ7
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