Research workbench
1.50 ångström resolution crystal structure of argininosuccinate synthase from bordetella pertussis in complex with AMP.
Analyse 1.50 ångström resolution crystal structure of argininosuccinate synthase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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