MolNFT v1 · #162881 · protein
Deoxyguanylosuccinate synthase (dgss) structure with ATP, imp, magnesium
6RM2 · Adenylosuccinate synthetase: “Deoxyguanylosuccinate synthase (dgss) structure with ATP, imp, magnesium”. X-ray diffraction, 4 ligands (ATP, IMP, MG), 7 pockets (best druggability 0.79). MolNFT v1 #162881 on GenesisL1: 3D structure…
- PDB
- 6RM2
- Type
- protein
- Length
- 686 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate synthetase
- UniProt
- G3FFN6
- Ligands
- ATP, IMP, MG, SO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenylosuccinate synthetase | protein | 343 | 33% helix, 20% strand | G3FFN6 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.79 | 0.98 | 32 | empty |
| 2 | 504 | 0.79 | 0.86 | 60 | ATP, MG, IMP |
| 3 | 388 | 0.77 | 0.87 | 55 | ATP, MG, IMP |
| 4 | 55 | 0.71 | 0.98 | 22 | empty |
| 5 | 61 | 0.70 | 0.97 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2606 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6RM2 · Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium · 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 G3FFN6
- Elsewhere: RCSB PDB 6RM2 · PDBe 6RM2 · UniProt G3FFN6
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