MolNFT v1 · #144715 · protein
Crystal structure of adenylosuccinate synthetase from legionella pneumophila philadelphia 1 in complex with GDP
6C25: “Crystal structure of adenylosuccinate synthetase from legionella pneumophila philadelphia 1 in complex with…”. X-ray diffraction, 3 ligands (GDP, MG, CL), 2 pockets (best druggability 0.58). MolNFT v1 #144715 on GenesisL1: 3D…
- PDB
- 6C25
- Type
- protein
- Length
- 394 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- EC
- 6.3.4.4
- UniProt
- Q8RNM2
- Ligands
- GDP, MG, CL
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate synthetase (EC 6.3.4.4) | protein | 394 | 39% helix, 21% strand | Q8RNM2 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 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 | 352 | 0.58 | 0.76 | 41 | GDP, MG |
| 2 | 65 | 0.29 | 0.73 | 17 | empty |
Compared structures
- 6C25 · Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8RNM2 · AlphaFold monomer V2.0 prediction for adenylosuccinate synthetase (Q8RNM2) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q8RNM2
- Elsewhere: RCSB PDB 6C25 · PDBe 6C25 · UniProt Q8RNM2
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