MolNFT v1 · #66695 · protein
Structure of human mthfs with N5-iminium phosphate
3HY4 · 5-formyltetrahydrofolate cyclo-ligase: “Structure of human mthfs with N5-iminium phosphate”. X-ray diffraction, 4 ligands (N5G, MG, NI), 2 pockets (best druggability 0.74). MolNFT v1 #66695 on GenesisL1: 3D structure, binding sites…
- PDB
- 3HY4
- Type
- protein
- Length
- 195 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
- N5G, MG, NI, PO4
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-formyltetrahydrofolate cyclo-ligase (EC 6.3.3.2) | protein | 195 | 37% helix, 19% strand | P49914 |
Ligands and binding sites
- N5G · N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- NI · Nickel (II) ion · metal · chains A
- PO4 · Phosphate ion · ion · 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 | 244 | 0.74 | 0.88 | 36 | N5G, PO4 |
| 2 | 69 | 0.32 | 0.75 | 15 | empty |
Compared structures
- 3HY4 · Structure of human MTHFS with N5-iminium phosphate · 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 3HY4 · PDBe 3HY4 · UniProt P49914
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