MolNFT v1 · #144928 · protein
Crystal structure of aspartate semialdehyde dehydrogenase with NADP from blastomyces dermatitidis
6C8W · Aspartate-semialdehyde dehydrogenase: “Crystal structure of aspartate semialdehyde dehydrogenase with NADP from blastomyces dermatitidis”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.71). MolNFT v1 #144928 on…
- PDB
- 6C8W
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- UniProt
- C5GC63
- Ligands
- NAP
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate-semialdehyde dehydrogenase | protein | 357 | 36% helix, 23% strand | C5GC63 |
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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 558 | 0.71 | 0.80 | 61 | NAP |
| 2 | 537 | 0.66 | 0.77 | 58 | NAP |
| 3 | 50 | 0.30 | 0.77 | 15 | empty |
| 4 | 56 | 0.27 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1753 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 6C8W · Crystal structure of Aspartate Semialdehyde Dehydrogenase with NADP from Blastomyces… · 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 C5GC63
- Elsewhere: RCSB PDB 6C8W · PDBe 6C8W · UniProt C5GC63
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