MolNFT v1 · #186673 · protein
Structure of ALDH1L1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP
7RLU · Cytosolic 10-formyltetrahydrofolate dehydrogenase: “Structure of ALDH1L1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP”. Electron microscopy, 2 ligands (NAP, PNS), 19 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 7RLU
- Type
- protein
- Length
- 2,332 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic 10-formyltetrahydrofolate dehydrogenase
- EC
- 1.5.1.6
- UniProt
- P28037
- Ligands
- NAP, PNS
- Pockets
- 19 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, C | Cytosolic 10-formyltetrahydrofolate dehydrogenase (EC 1.5.1.6) | protein | 583 | 43% helix, 19% strand | P28037 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, D, C
- PNS · 4'-phosphopantetheine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 694 | 0.87 | 0.91 | 95 | PNS |
| 2 | 632 | 0.87 | 0.91 | 86 | PNS |
| 3 | 585 | 0.86 | 0.91 | 74 | PNS |
| 4 | 621 | 0.86 | 0.91 | 84 | PNS |
| 5 | 420 | 0.84 | 0.92 | 48 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2645 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 2644 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2581 Ų buried · 34 hydrogen bonds · protein-protein
- D–C · 2577 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 1561 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (phosphopantetheinylation).
Compared structures
- 7RLU · Structure of ALDH1L1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP · the same entry in another collection · chain C against C, TM-score 1.00
- P28037 · AlphaFold monomer V2.0 prediction for cytosolic 10-formyltetrahydrofolate dehydrogenase… · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P28037
- Elsewhere: RCSB PDB 7RLU · PDBe 7RLU · UniProt P28037
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