Research workbench
Structure of apo human ALDH7A1 in space group C2
Analyse Structure of apo human ALDH7A1 in space group C2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZVW
- Type
- protein
- Length
- 4,056 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-aminoadipic semialdehyde dehydrogenase
- EC
- 1.2.1.31, 1.2.1.3, 1.2.1.8
- UniProt
- P49419
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 6 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 509 | 41% helix, 21% strand | P49419 |
| B | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 502 | 41% helix, 22% strand | P49419 |
| C | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 508 | 42% helix, 21% strand | P49419 |
| D | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 508 | 41% helix, 21% strand | P49419 |
| F, H | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 507 | 40% helix, 21% strand | P49419 |
| G | Alpha-aminoadipic semialdehyde dehydrogenase (EC 1.2.1.31, 1.2.1.3, 1.2.1.8) | protein | 506 | 42% helix, 22% strand | P49419 |
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 | 900 | 0.87 | 0.89 | 68 | empty |
| 2 | 940 | 0.87 | 0.89 | 68 | empty |
| 3 | 841 | 0.87 | 0.89 | 86 | empty |
| 4 | 839 | 0.86 | 0.89 | 91 | empty |
| 5 | 810 | 0.86 | 0.89 | 85 | empty |
Interfaces
16 interfaces between chains.
- C–D · 3566 Ų buried · 62 hydrogen bonds · protein-protein
- E–F · 3542 Ų buried · 58 hydrogen bonds · protein-protein
- G–H · 3390 Ų buried · 58 hydrogen bonds · protein-protein
- A–B · 3304 Ų buried · 59 hydrogen bonds · protein-protein
- F–H · 938 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 P49419
- Elsewhere: RCSB PDB 4ZVW · PDBe 4ZVW · UniProt P49419
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