MolNFT v1 · #147208 · protein
1.50 ångström resolution crystal structure of argininosuccinate synthase from bordetella pertussis in complex with AMP.
6E5Y: “1.50 ångström resolution crystal structure of argininosuccinate synthase from bordetella pertussis in complex…”. X-ray diffraction, 3 ligands (AMP, CL, SO4), 2 pockets (best druggability 0.74). MolNFT v1 #147208 on GenesisL1: 3D…
- PDB
- 6E5Y
- Type
- protein
- Length
- 438 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Argininosuccinate synthase
- EC
- 6.3.4.5
- UniProt
- Q7VTJ9
- Ligands
- AMP, CL, SO4
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Argininosuccinate synthase (EC 6.3.4.5) | protein | 438 | 42% helix, 20% strand | Q7VTJ9 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- MLA · Malonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.74 | 0.78 | 74 | AMP, CL, SO4, EDO, MLA |
| 2 | 141 | 0.49 | 0.78 | 26 | empty |
Compared structures
- 6E5Y · 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella… · the same entry in another collection · chain A against A, TM-score 1.00
- Q7VTJ9 · AlphaFold monomer V2.0 prediction for argininosuccinate synthase (Q7VTJ9) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q7VTJ9
- Elsewhere: RCSB PDB 6E5Y · PDBe 6E5Y · UniProt Q7VTJ9
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