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Crystal structure of adenylosuccinate lyase from francisella tularensis complexed with AMP and succinate
Analyse Crystal structure of adenylosuccinate lyase from francisella tularensis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EEI
- Type
- protein
- Length
- 837 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate lyase
- EC
- 4.3.2.2
- UniProt
- Q5NIQ1
- Ligands
- AMP, K, CL
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 414 | 66% helix, 5% strand | Q5NIQ1 |
| B | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 423 | 65% helix, 4% strand | Q5NIQ1 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
- EDO · 1,2-ethanediol · additive · 17 copies · chains A, B
- SIN · Succinic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.66 | 0.88 | 24 | EDO |
| 2 | 467 | 0.64 | 0.77 | 57 | empty |
| 3 | 163 | 0.62 | 0.84 | 33 | AMP, EDO |
Interfaces
1 interface between chains.
- A–B · 921 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4EEI · Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with… · 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 Q5NIQ1
- Elsewhere: RCSB PDB 4EEI · PDBe 4EEI · UniProt Q5NIQ1
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