MolNFT v1 · #46382 · protein
Crystal structure of the C-terminal domain of rat 10'FORMYLTETRAHYDROFOLATE dehydrogenase in complex with NADPH
2O2R: “Crystal structure of the C-terminal domain of rat 10'FORMYLTETRAHYDROFOLATE dehydrogenase in complex with…”. X-ray diffraction, 2 ligands (NDP, SO4), 20 pockets (best druggability 0.85). MolNFT v1 #46382 on GenesisL1: 3D structure…
- PDB
- 2O2R
- Type
- protein
- Length
- 1,992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formyltetrahydrofolate dehydrogenase
- EC
- 1.5.1.6
- UniProt
- Q5HZB2
- Ligands
- NDP, SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Formyltetrahydrofolate dehydrogenase (EC 1.5.1.6) | protein | 498 | 41% helix, 23% strand | Q5HZB2 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 21 copies · chains A, C, D, B
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.85 | 0.92 | 59 | SO4 |
| 2 | 365 | 0.83 | 0.92 | 40 | SO4 |
| 3 | 395 | 0.82 | 0.90 | 37 | SO4 |
| 4 | 432 | 0.81 | 0.90 | 36 | SO4 |
| 5 | 760 | 0.81 | 0.84 | 63 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 2576 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 2530 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 1287 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 1274 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1139 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2O2R · Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5HZB2
- Elsewhere: RCSB PDB 2O2R · PDBe 2O2R · UniProt Q5HZB2
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