MolNFT v1 · #25330 · protein
Crystal structure of flavoprotein (TM0755) from thermotoga maritima at 1.80 a resolution
1VME: “Crystal structure of flavoprotein (TM0755) from thermotoga maritima at 1.80 a resolution”. X-ray diffraction, 2 ligands (FEO, CL), 11 pockets (best druggability 0.73). MolNFT v1 #25330 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1VME
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavoprotein
- UniProt
- Q9WZL4
- Ligands
- FEO, CL
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavoprotein | protein | 402 | 35% helix, 27% strand | Q9WZL4 |
| B | Flavoprotein | protein | 400 | 35% helix, 28% strand | Q9WZL4 |
Ligands and binding sites
- FEO · Mu-oxo-diiron · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.73 | 0.86 | 36 | CL, EDO |
| 2 | 261 | 0.72 | 0.86 | 34 | CL, EDO |
| 3 | 192 | 0.66 | 0.85 | 24 | empty |
| 4 | 105 | 0.46 | 0.79 | 23 | empty |
| 5 | 61 | 0.45 | 0.83 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2198 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 1VME · Crystal structure of Flavoprotein (TM0755) from Thermotoga maritima at 1.80 A resolution · 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 Q9WZL4
- Elsewhere: RCSB PDB 1VME · PDBe 1VME · UniProt Q9WZL4
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