MolNFT v1 · #148916 · protein
Deoxyguanylosuccinate synthase (dgss) quaternary structure with ATP, dgmp, hadacidin at 2.1 ångström resolution
6FKO · Adenylosuccinate synthetase: “Deoxyguanylosuccinate synthase (dgss) quaternary structure with ATP, dgmp, hadacidin at 2.1 ångström…”. X-ray diffraction, 3 ligands (DGP, ATP, HDA), 4 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 6FKO
- 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
- DGP, ATP, HDA
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adenylosuccinate synthetase | protein | 343 | 34% helix, 20% strand | G3FFN6 |
Ligands and binding sites
- DGP · 2'-deoxyguanosine-5'-monophosphate · ligand · 2 copies · chains A, B
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- HDA · Hadacidin · ligand · chains A
- FLC · Citrate anion · additive · chains A
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 | 136 | 0.79 | 0.97 | 32 | empty |
| 2 | 596 | 0.78 | 0.85 | 66 | HDA, DGP, ATP |
| 3 | 402 | 0.77 | 0.87 | 56 | DGP, ATP |
| 4 | 262 | 0.62 | 0.80 | 55 | empty |
Interfaces
1 interface between chains.
- A–B · 2529 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6FKO · Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at… · 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 6FKO · PDBe 6FKO · UniProt G3FFN6
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