MolNFT v1 · #17307 · protein
Deletion mutant of succinyl-COA:3-ketoacid CoA transferase from pig heart
1OPE · Succinyl-COA:3-ketoacid-coenzyme a transferase: “Deletion mutant of succinyl-COA:3-ketoacid CoA transferase from pig heart”. X-ray diffraction, 2 ligands (HG, K), 14 pockets (best druggability 0.85). MolNFT v1 #17307 on GenesisL1…
- PDB
- 1OPE
- Type
- protein
- Length
- 916 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Succinyl-COA:3-ketoacid-coenzyme a transferase
- EC
- 2.8.3.5
- UniProt
- Q29551
- Ligands
- HG, K
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 453 | 22% helix, 32% strand | Q29551 |
| B | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 463 | 22% helix, 32% strand | Q29551 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 4 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.85 | 0.97 | 44 | empty |
| 2 | 571 | 0.73 | 0.81 | 68 | empty |
| 3 | 346 | 0.70 | 0.83 | 42 | empty |
| 4 | 143 | 0.53 | 0.80 | 25 | K |
| 5 | 125 | 0.50 | 0.80 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 2423 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 1OPE · Deletion mutant of SUCCINYL-COA:3-KETOACID COA TRANSFERASE FROM PIG HEART · the same entry in another collection · chain A against A, TM-score 1.00
- Q29551 · AlphaFold monomer V2.0 prediction for succinyl-COA:3-ketoacid coenzyme a transferase 1… · a predicted model of the same protein · 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 Q29551
- Elsewhere: RCSB PDB 1OPE · PDBe 1OPE · UniProt Q29551
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