MolNFT v1 · #66888 · protein
Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution
3I44: “Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution”. X-ray diffraction, 2 ligands (NA, UNX), 3 pockets (best druggability 0.71). MolNFT v1 #66888 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3I44
- Type
- protein
- Length
- 476 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase
- UniProt
- Q6G4G1
- Ligands
- NA, UNX
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde dehydrogenase | protein | 476 | 42% helix, 20% strand | Q6G4G1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.71 | 0.81 | 44 | empty |
| 2 | 298 | 0.58 | 0.77 | 42 | empty |
| 3 | 93 | 0.41 | 0.78 | 24 | empty |
Compared structures
- 3I44 · Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution · 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 Q6G4G1
- Elsewhere: RCSB PDB 3I44 · PDBe 3I44 · UniProt Q6G4G1
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