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The crystal structure of gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase from burkholderia cenocepacia J2315
Analyse The crystal structure of gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LIH
- Type
- protein
- Length
- 3,947 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase
- EC
- 1.2.1.3
- UniProt
- B4E926
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, H | Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase (EC 1.2.1.3) | protein | 494 | 44% helix, 21% strand | B4E926 |
| B, C, E, F, G | Gamma-glutamyl-gamma-aminobutyraldehyde dehydrogenase (EC 1.2.1.3) | protein | 493 | 43% helix, 21% strand | B4E926 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 8 copies · chains A, B, C, D, E, F, G, H
- EDO · 1,2-ethanediol · additive · 7 copies · chains B, C, D, F, G, H, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1065 | 0.87 | 0.88 | 107 | EDO |
| 2 | 1090 | 0.87 | 0.88 | 111 | empty |
| 3 | 246 | 0.84 | 0.96 | 44 | empty |
| 4 | 250 | 0.84 | 0.96 | 48 | empty |
| 5 | 260 | 0.83 | 0.95 | 43 | empty |
Interfaces
15 interfaces between chains.
- A–B · 2838 Ų buried · 55 hydrogen bonds · protein-protein
- F–H · 2836 Ų buried · 55 hydrogen bonds · protein-protein
- C–D · 2834 Ų buried · 54 hydrogen bonds · protein-protein
- E–G · 2769 Ų buried · 57 hydrogen bonds · protein-protein
- B–D · 1090 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4LIH · The crystal structure of Gamma-glutamyl-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 B4E926
- Elsewhere: RCSB PDB 4LIH · PDBe 4LIH · UniProt B4E926
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