MolNFT v1 · #158240 · protein
ADP bound to V113BL mutant ATP-grasp fold of blastocystis hominis succinyl-CoA synthetase
6NO3 · Succinate--CoA ligase [ADP-forming] subunit beta: “ADP bound to V113BL mutant ATP-grasp fold of blastocystis hominis succinyl-CoA synthetase”. X-ray diffraction, 3 ligands (ADP, MG, CL), 5 pockets (best druggability 0.64). MolNFT v1…
- PDB
- 6NO3
- Type
- protein
- Length
- 470 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Succinate--CoA ligase [ADP-forming] subunit beta
- EC
- 6.2.1.5
- UniProt
- B3FHP0
- Ligands
- ADP, MG, CL
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Succinate--CoA ligase [ADP-forming] subunit beta (EC 6.2.1.5) | protein | 235 | 31% helix, 31% strand | B3FHP0 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.64 | 0.78 | 45 | ADP, MG |
| 2 | 435 | 0.64 | 0.77 | 47 | ADP, MG |
| 3 | 100 | 0.62 | 0.88 | 22 | empty |
| 4 | 92 | 0.36 | 0.75 | 18 | CL |
| 5 | 51 | 0.27 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1377 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6NO3 · ADP bound to V113bL mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase · the same entry in another collection · chain A against A, TM-score 1.00
- B3FHP0 · AlphaFold monomer V2.0 prediction for succinate--CoA ligase [ADP- forming] subunit beta… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 B3FHP0
- Elsewhere: RCSB PDB 6NO3 · PDBe 6NO3 · UniProt B3FHP0
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