MolNFT v1 · #144774 · protein
2.9 ångström resolution crystal structure of gamma-aminobutyraldehyde dehydrogenase from salmonella typhimurium.
6C43: “2.9 ångström resolution crystal structure of gamma-aminobutyraldehyde dehydrogenase from salmonella…”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #144774 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6C43
- Type
- protein
- Length
- 3,784 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-aminobutyraldehyde dehydrogenase
- EC
- 1.2.1.19
- UniProt
- A0A0W3SL32
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Gamma-aminobutyraldehyde dehydrogenase (EC 1.2.1.19) | protein | 473 | 41% helix, 23% strand | A0A0W3SL32 |
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 | 449 | 0.86 | 0.94 | 45 | empty |
| 2 | 451 | 0.86 | 0.93 | 46 | empty |
| 3 | 494 | 0.86 | 0.93 | 51 | empty |
| 4 | 475 | 0.86 | 0.93 | 44 | empty |
| 5 | 160 | 0.76 | 0.93 | 33 | empty |
Interfaces
13 interfaces between chains.
- C–D · 3039 Ų buried · 37 hydrogen bonds · protein-protein
- E–F · 2998 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 2994 Ų buried · 38 hydrogen bonds · protein-protein
- G–H · 2955 Ų buried · 36 hydrogen bonds · protein-protein
- F–H · 1084 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6C43 · 2.9 Angstrom Resolution Crystal Structure of Gamma-Aminobutyraldehyde Dehydrogenase from… · 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 A0A0W3SL32
- Elsewhere: RCSB PDB 6C43 · PDBe 6C43 · UniProt A0A0W3SL32
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