MolNFT v1 · #77525 · protein
Crystal structure of the E673Q mutant of C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase
3RHM · Aldehyde dehydrogenase 1 family, member L1: “Crystal structure of the E673Q mutant of C-terminal domain of 10'FORMYLTETRAHYDROFOLATE dehydrogenase”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 3RHM
- 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
- SO4
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aldehyde dehydrogenase 1 family, member L1 | protein | 498 | 39% helix, 24% strand | Q5HZB2 |
Ligands and binding sites
- 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
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.87 | 0.90 | 100 | SO4 |
| 2 | 520 | 0.85 | 0.90 | 79 | SO4 |
| 3 | 767 | 0.81 | 0.84 | 58 | SO4 |
| 4 | 805 | 0.81 | 0.84 | 61 | SO4 |
| 5 | 827 | 0.81 | 0.84 | 57 | SO4 |
Interfaces
6 interfaces between chains.
- A–B · 2290 Ų buried · 40 hydrogen bonds · protein-protein
- C–D · 2288 Ų buried · 42 hydrogen bonds · protein-protein
- A–C · 1278 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1272 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1152 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3RHM · Crystal structure of the E673Q mutant oF C-Terminal domain of 10'FORMYLTETRAHYDROFOLATE… · 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 3RHM · PDBe 3RHM · UniProt Q5HZB2
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