MolNFT v1 · #61525 · protein
Crystal structure of putative formyltetrahydrofolate synthetase (TM1766) from thermotoga maritima at 1.85 a resolution
3DO6 · Formate--tetrahydrofolate ligase: “Crystal structure of putative formyltetrahydrofolate synthetase (TM1766) from thermotoga maritima at 1.85 a…”. X-ray diffraction, 11 pockets (best druggability 0.80). MolNFT v1 #61525 on GenesisL1…
- PDB
- 3DO6
- Type
- protein
- Length
- 1,086 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate--tetrahydrofolate ligase
- EC
- 6.3.4.3
- UniProt
- Q9X287
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Formate--tetrahydrofolate ligase (EC 6.3.4.3) | protein | 543 | 39% helix, 20% strand | Q9X287 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 19 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.80 | 0.98 | 23 | empty |
| 2 | 631 | 0.78 | 0.83 | 92 | EDO |
| 3 | 752 | 0.71 | 0.77 | 64 | empty |
| 4 | 704 | 0.71 | 0.78 | 58 | EDO |
| 5 | 444 | 0.67 | 0.79 | 46 | EDO |
Interfaces
1 interface between chains.
- A–B · 2864 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
Compared structures
- 3DO6 · Crystal structure of Putative Formyltetrahydrofolate Synthetase (TM1766) from THERMOTOGA… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X287 · AlphaFold monomer V2.0 prediction for formate--tetrahydrofolate ligase (Q9X287) · a predicted model of the same protein · chain B 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 Q9X287
- Elsewhere: RCSB PDB 3DO6 · PDBe 3DO6 · UniProt Q9X287
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