Research workbench
CoA bound to pig GTP-specific succinyl-CoA synthetase
Analyse CoA bound to pig GTP-specific succinyl-CoA synthetase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XX0
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Succinyl-CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial; Succinyl-CoA ligase…
- EC
- 6.2.1.4, 6.2.1.5
- UniProt
- O19069, P53590
- Ligands
- COA, SO4, PO4
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Succinyl-CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial (EC 6.2.1.4, 6.2.1.5) | protein | 303 | 37% helix, 22% strand | O19069 |
| B | Succinyl-CoA ligase [GDP-forming] subunit beta, mitochondrial (EC 6.2.1.4) | protein | 393 | 38% helix, 23% strand | P53590 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- PO4 · Phosphate ion · ion · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.80 | 0.82 | 113 | PO4, SO4 |
| 2 | 160 | 0.58 | 0.83 | 29 | GOL |
| 3 | 220 | 0.51 | 0.76 | 24 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2220 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 4XX0 · CoA bound to pig GTP-specific succinyl-CoA synthetase · the same entry in another collection · chain A against A, TM-score 1.00
- O19069 · AlphaFold monomer V2.0 prediction for succinate--CoA ligase [ADP/GDP- forming] subunit… · a predicted model of the same protein · chain A against A, TM-score 1.00
- P53590 · AlphaFold monomer V2.0 prediction for succinate--CoA ligase [GDP- forming] subunit beta… · a predicted model of the same protein · chain B against A, TM-score 0.90
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 O19069
- Every structure of UniProt P53590
- Elsewhere: RCSB PDB 4XX0 · PDBe 4XX0 · UniProt O19069 · UniProt P53590
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