Research workbench
Crystal structure of N10-formyltetrahydrofolate synthetase with folate
Analyse Crystal structure of N10-formyltetrahydrofolate synthetase with folate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JJK
- Type
- protein
- Length
- 1,112 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
- Q2RM91
- Ligands
- TOE, FOL, SO4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formate--tetrahydrofolate ligase (EC 6.3.4.3) | protein | 557 | 39% helix, 18% strand | Q2RM91 |
| B | Formate--tetrahydrofolate ligase (EC 6.3.4.3) | protein | 555 | 37% helix, 18% strand | Q2RM91 |
Ligands and binding sites
- TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl · ligand · 3 copies · chains A, B
- FOL · Folic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.76 | 0.78 | 117 | SO4 |
| 2 | 273 | 0.69 | 0.84 | 38 | empty |
| 3 | 679 | 0.69 | 0.76 | 53 | SO4 |
| 4 | 318 | 0.68 | 0.83 | 44 | EDO |
| 5 | 712 | 0.68 | 0.76 | 60 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2939 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 4JJK · Crystal Structure of N10-Formyltetrahydrofolate Synthetase with Folate · the same entry in another collection · chain A against A, TM-score 1.00
- Q2RM91 · AlphaFold monomer V2.0 prediction for formate--tetrahydrofolate ligase (Q2RM91) · 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 Q2RM91
- Elsewhere: RCSB PDB 4JJK · PDBe 4JJK · UniProt Q2RM91
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