MolNFT v1 · #77530 · protein
Crystal structure of the C707A mutant of the C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase in complex with NADPH
3RHR · Aldehyde dehydrogenase 1 family, member L1: “Crystal structure of the C707A mutant of the C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase in…”. X-ray diffraction, 2 ligands (NDP, SO4), 18 pockets (best druggability…
- PDB
- 3RHR
- Type
- protein
- Length
- 1,992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase 1 family, member L1
- UniProt
- Q5HZB2
- Ligands
- NDP, SO4
- Pockets
- 18 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aldehyde dehydrogenase 1 family, member L1 | protein | 498 | 42% 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 · 28 copies · chains A, B, C, D
- 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
18 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 442 | 0.84 | 0.92 | 56 | SO4 |
| 2 | 374 | 0.84 | 0.92 | 44 | SO4 |
| 3 | 417 | 0.82 | 0.90 | 37 | SO4 |
| 4 | 739 | 0.81 | 0.85 | 62 | SO4 |
| 5 | 415 | 0.81 | 0.89 | 37 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 2584 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 2548 Ų buried · 38 hydrogen bonds · protein-protein
- B–D · 1280 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1275 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 1140 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3RHR · Crystal structure of the C707A mutant of the C-Terminal domain of… · 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 3RHR · PDBe 3RHR · UniProt Q5HZB2
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