MolNFT v1 · #153220 · protein
Structure of 3,6-anhydro-L-galactose dehydrogenase in complex with nap
6J76 · Aldehyde dehydrogenase a: “Structure of 3,6-anhydro-L-galactose dehydrogenase in complex with nap”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.84). MolNFT v1 #153220 on GenesisL1: 3D structure, binding sites…
- PDB
- 6J76
- Type
- protein
- Length
- 954 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase a
- EC
- 1.2.1.22
- UniProt
- A0A090SK43
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde dehydrogenase a (EC 1.2.1.22) | protein | 477 | 41% helix, 23% strand | A0A090SK43 |
| B | Aldehyde dehydrogenase a (EC 1.2.1.22) | protein | 477 | 42% helix, 23% strand | A0A090SK43 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1163 | 0.84 | 0.85 | 110 | empty |
| 2 | 718 | 0.73 | 0.79 | 84 | NAP |
| 3 | 683 | 0.71 | 0.78 | 86 | NAP |
Interfaces
1 interface between chains.
- A–B · 2528 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 6J76 · Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP · 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 A0A090SK43
- Elsewhere: RCSB PDB 6J76 · PDBe 6J76 · UniProt A0A090SK43
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