MolNFT v1 · #23547 · protein
Structural and functional characterization of a 5,10- methenyltetrahydrofolate synthetase from mycoplasma pneumoniae (gi: 13508087)
1U3F · 5,10-methenyltetrahydrofolate synthetase: “Structural and functional characterization of a 5,10- methenyltetrahydrofolate synthetase from mycoplasma…”. X-ray diffraction, 3 ligands (ADP, MG, PO4), 3 pockets (best druggability 0.60).…
- PDB
- 1U3F
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5,10-methenyltetrahydrofolate synthetase
- EC
- 6.3.3.2
- UniProt
- P75430
- Ligands
- ADP, MG, PO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5,10-methenyltetrahydrofolate synthetase (EC 6.3.3.2) | protein | 164 | 33% helix, 20% strand | P75430 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.60 | 0.81 | 30 | PO4, MG, ADP |
| 2 | 223 | 0.59 | 0.80 | 28 | PO4, MG, ADP |
| 3 | 232 | 0.55 | 0.78 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 381 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1U3F · Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase… · the same entry in another collection · chain A against A, TM-score 1.00
- P75430 · AlphaFold monomer V2.0 prediction for 5-formyltetrahydrofolate cyclo- ligase (P75430) · a predicted model of the same protein · chain A 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 P75430
- Elsewhere: RCSB PDB 1U3F · PDBe 1U3F · UniProt P75430
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