MolNFT v1 · #32398 · protein
New crystal form of the pseudomonas putida branched-chain dehydrogenase (E1)
2BP7 · 2-oxoisovalerate dehydrogenase alpha subunit: “New crystal form of the pseudomonas putida branched-chain dehydrogenase (E1)”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #32398 on GenesisL1: 3D structure…
- PDB
- 2BP7
- Type
- protein
- Length
- 2,980 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-oxoisovalerate dehydrogenase alpha subunit; 2-oxoisovalerate dehydrogenase beta subunit
- EC
- 1.2.4.4
- UniProt
- P09060, P09061
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | 2-oxoisovalerate dehydrogenase alpha subunit (EC 1.2.4.4) | protein | 407 | 43% helix, 9% strand | P09060 |
| B, D, F, H | 2-oxoisovalerate dehydrogenase beta subunit (EC 1.2.4.4) | protein | 338 | 37% helix, 19% strand | P09061 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.78 | 0.98 | 25 | empty |
| 2 | 94 | 0.78 | 0.99 | 26 | empty |
| 3 | 91 | 0.77 | 0.98 | 25 | empty |
| 4 | 93 | 0.77 | 0.98 | 24 | empty |
| 5 | 575 | 0.77 | 0.83 | 73 | empty |
Interfaces
14 interfaces between chains.
- F–H · 2064 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 2061 Ų buried · 26 hydrogen bonds · protein-protein
- E–G · 2016 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 2008 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1917 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 2BP7 · New crystal form of the Pseudomonas putida branched-chain dehydrogenase (E1) · the same entry in another collection · chain H against H, TM-score 1.00
- P09061 · AlphaFold monomer V2.0 prediction for 2-oxoisovalerate dehydrogenase subunit beta (P09061) · a predicted model of the same protein · chain B against A, TM-score 1.00
- P09060 · AlphaFold monomer V2.0 prediction for 2-oxoisovalerate dehydrogenase subunit alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P09060
- Every structure of UniProt P09061
- Elsewhere: RCSB PDB 2BP7 · PDBe 2BP7 · UniProt P09060 · UniProt P09061
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