MolNFT v1 · #66694 · protein
Structure of human mthfs with 10-formyltetrahydrofolate
3HY3 · 5-formyltetrahydrofolate cyclo-ligase: “Structure of human mthfs with 10-formyltetrahydrofolate”. X-ray diffraction, 3 ligands (10F, MG, NI), 2 pockets (best druggability 0.71). MolNFT v1 #66694 on GenesisL1: 3D structure, binding…
- PDB
- 3HY3
- Type
- protein
- Length
- 196 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-formyltetrahydrofolate cyclo-ligase
- EC
- 6.3.3.2
- UniProt
- P49914
- Ligands
- 10F, MG, NI
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-formyltetrahydrofolate cyclo-ligase (EC 6.3.3.2) | protein | 196 | 36% helix, 19% strand | P49914 |
Ligands and binding sites
- 10F · N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid · ligand · chains A
- MG · Magnesium ion · metal · 9 copies · chains A
- NI · Nickel (II) ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.71 | 0.91 | 22 | 10F |
| 2 | 52 | 0.27 | 0.74 | 12 | empty |
Compared structures
- 3HY3 · Structure of human MTHFS with 10-formyltetrahydrofolate · the same entry in another collection · chain A against A, TM-score 1.00
- P49914 · AlphaFold monomer V2.0 prediction for 5-formyltetrahydrofolate cyclo- ligase (P49914) · 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 P49914
- Elsewhere: RCSB PDB 3HY3 · PDBe 3HY3 · UniProt P49914
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