MolNFT v1 · #53846 · protein
Staphylococcus aureus adenylosuccinate lyase
2X75: “Staphylococcus aureus adenylosuccinate lyase”. X-ray diffraction, 3 ligands (OXL, AMP, CL), 2 pockets (best druggability 0.62). MolNFT v1 #53846 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X75
- Type
- protein
- Length
- 427 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate lyase
- EC
- 4.3.2.2
- UniProt
- C8LPI8
- Ligands
- OXL, AMP, CL
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 427 | 62% helix, 5% strand | C8LPI8 |
Ligands and binding sites
- OXL · Oxalate ion · ligand · chains A
- AMP · Adenosine monophosphate · ligand · chains A
- CL · Chloride ion · ion · chains A
- P6G · Hexaethylene glycol · 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 | 155 | 0.62 | 0.85 | 27 | empty |
| 2 | 59 | 0.39 | 0.80 | 13 | empty |
Compared structures
- 2X75 · Staphylococcus aureus adenylosuccinate lyase · 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 C8LPI8
- Elsewhere: RCSB PDB 2X75 · PDBe 2X75 · UniProt C8LPI8
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