MolNFT v1 · #187564 · protein
Crystal structure of aspartate-semialdehyde dehydrogenase from acinetobacter baumannii
7SKB: “Crystal structure of aspartate-semialdehyde dehydrogenase from acinetobacter baumannii”. X-ray diffraction, 12 pockets (best druggability 0.66). MolNFT v1 #187564 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7SKB
- Type
- protein
- Length
- 1,492 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- V5VGT0
- Pockets
- 12 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 373 | 41% helix, 22% strand | V5VGT0 |
| B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 374 | 42% helix, 22% strand | V5VGT0 |
| C | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 372 | 41% helix, 22% strand | V5VGT0 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 509 | 0.66 | 0.78 | 46 | empty |
| 2 | 403 | 0.61 | 0.77 | 56 | TLA |
| 3 | 344 | 0.59 | 0.77 | 46 | empty |
| 4 | 311 | 0.58 | 0.77 | 48 | empty |
| 5 | 326 | 0.58 | 0.77 | 46 | empty |
Interfaces
4 interfaces between chains.
- C–D · 3783 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 3777 Ų buried · 59 hydrogen bonds · protein-protein
- A–C · 541 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 10 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7SKB · Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii · 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 V5VGT0
- Elsewhere: RCSB PDB 7SKB · PDBe 7SKB · UniProt V5VGT0
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