MolNFT v1 · #14254 · protein
Succinyl-COA:3-ketoacid CoA transferase from pig heart (selenomethionine)
1M3E · Succinyl-COA:3-ketoacid-coenzyme a transferase: “Succinyl-COA:3-ketoacid CoA transferase from pig heart (selenomethionine)”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #14254 on GenesisL1: 3D structure…
- PDB
- 1M3E
- Type
- protein
- Length
- 1,890 residues
- Chains
- 4
- 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
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 472 | 21% helix, 31% strand | Q29551 |
| B, C | Succinyl-COA:3-ketoacid-coenzyme a transferase (EC 2.8.3.5) | protein | 473 | 22% helix, 32% strand | Q29551 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.85 | 0.96 | 40 | empty |
| 2 | 240 | 0.84 | 0.96 | 32 | empty |
| 3 | 445 | 0.82 | 0.89 | 54 | empty |
| 4 | 417 | 0.81 | 0.89 | 62 | empty |
| 5 | 401 | 0.70 | 0.82 | 50 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2454 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 2404 Ų buried · 39 hydrogen bonds · protein-protein
- B–C · 1408 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 52 modified (engineered).
Compared structures
- 1M3E · Succinyl-COA:3-ketoacid COA transferase from pig heart (selenomethionine) · 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 1M3E · PDBe 1M3E · UniProt Q29551
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