MolNFT v1 · #152492 · protein
Structure of mmpa-CoA dehydrogenase from roseovarius nubinhibens ism
6IJC · Acyl-CoA dehydrogenase family protein: “Structure of mmpa-CoA dehydrogenase from roseovarius nubinhibens ism”. X-ray diffraction, 12 pockets (best druggability 0.87). MolNFT v1 #152492 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6IJC
- Type
- protein
- Length
- 1,122 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase family protein
- UniProt
- A3SI50
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase family protein | protein | 560 | 62% helix, 13% strand | A3SI50 |
| B | Acyl-CoA dehydrogenase family protein | protein | 562 | 64% helix, 13% strand | A3SI50 |
Ligands and binding sites
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 748 | 0.87 | 0.91 | 54 | empty |
| 2 | 756 | 0.86 | 0.89 | 73 | empty |
| 3 | 497 | 0.85 | 0.92 | 56 | B3P |
| 4 | 271 | 0.58 | 0.78 | 31 | empty |
| 5 | 130 | 0.57 | 0.83 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2776 Ų buried · 57 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6IJC · Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM · the same entry in another collection · 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 A3SI50
- Elsewhere: RCSB PDB 6IJC · PDBe 6IJC · UniProt A3SI50
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