MolNFT v1 · #148961 · protein
Deoxyguanylosuccinate synthase (dgss) quaternary structure with atpanddgmp at 2.3 ångström resolution
6FM1 · Adenylosuccinate synthetase: “Deoxyguanylosuccinate synthase (dgss) quaternary structure with atpanddgmp at 2.3 ångström resolution”. X-ray diffraction, 4 ligands (ATP, DGP, MG), 4 pockets (best druggability 0.77). MolNFT v1 #148961…
- PDB
- 6FM1
- 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, DGP, MG, CL
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenylosuccinate synthetase | protein | 343 | 36% helix, 20% strand | G3FFN6 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- DGP · 2'-deoxyguanosine-5'-monophosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.77 | 0.98 | 32 | empty |
| 2 | 439 | 0.76 | 0.86 | 58 | ATP, DGP, MG |
| 3 | 311 | 0.76 | 0.88 | 55 | ATP, DGP, MG |
| 4 | 214 | 0.51 | 0.76 | 36 | GOL |
Interfaces
1 interface between chains.
- A–B · 2534 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6FM1 · Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3… · 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 6FM1 · PDBe 6FM1 · UniProt G3FFN6
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