MolNFT v1 · #147428 · protein
The human methylenetetrahydrofolate DEHYDROGENASE/CYCLOHYDROLASE (fold) complexed with NADP and inhibitor LY345899
6ECQ · Methylenetetrahydrofolate dehydrogenase cyclohydrolase: “The human methylenetetrahydrofolate DEHYDROGENASE/CYCLOHYDROLASE (fold) complexed with NADP and inhibitor…”. X-ray diffraction, 2 ligands (NAP, LUD), 6 pockets (best…
- PDB
- 6ECQ
- Type
- protein
- Length
- 582 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylenetetrahydrofolate dehydrogenase cyclohydrolase
- EC
- 1.5.1.5, 3.5.4.9, 6.3.4.3
- UniProt
- P11586
- Ligands
- NAP, LUD
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylenetetrahydrofolate dehydrogenase cyclohydrolase (EC 1.5.1.5, 3.5.4.9, 6.3.4.3) | protein | 287 | 43% helix, 16% strand | P11586 |
| B | Methylenetetrahydrofolate dehydrogenase cyclohydrolase (EC 1.5.1.5, 3.5.4.9, 6.3.4.3) | protein | 295 | 40% helix, 17% strand | P11586 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- LUD · N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.68 | 0.78 | 49 | NAP, LUD |
| 2 | 338 | 0.57 | 0.75 | 41 | NAP |
| 3 | 51 | 0.49 | 0.86 | 17 | empty |
| 4 | 71 | 0.43 | 0.81 | 19 | empty |
| 5 | 73 | 0.37 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1415 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6ECQ · The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P11586 · AlphaFold monomer V2.0 prediction for C-1-tetrahydrofolate synthase, cytoplasmic (P11586) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P11586
- Elsewhere: RCSB PDB 6ECQ · PDBe 6ECQ · UniProt P11586
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.