Research workbench
2.1 ångström structure of actvi-orfa from streptomyces coelicolor
Analyse 2.1 ångström structure of actvi-orfa from streptomyces coelicolor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BKA
- Type
- protein
- Length
- 772 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxylacyl-CoA dehydrogenase
- UniProt
- Q7AKI2
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 28% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxylacyl-CoA dehydrogenase | protein | 115 | 29% helix, 42% strand | Q7AKI2 |
| B | Hydroxylacyl-CoA dehydrogenase | protein | 131 | 28% helix, 45% strand | Q7AKI2 |
| C | Hydroxylacyl-CoA dehydrogenase | protein | 126 | 26% helix, 47% strand | Q7AKI2 |
| D | Hydroxylacyl-CoA dehydrogenase | protein | 130 | 30% helix, 46% strand | Q7AKI2 |
| E | Hydroxylacyl-CoA dehydrogenase | protein | 136 | 29% helix, 45% strand | Q7AKI2 |
| F | Hydroxylacyl-CoA dehydrogenase | protein | 134 | 26% helix, 46% strand | Q7AKI2 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.83 | 0.98 | 23 | empty |
| 2 | 168 | 0.83 | 0.98 | 24 | empty |
| 3 | 224 | 0.74 | 0.89 | 35 | empty |
| 4 | 344 | 0.72 | 0.84 | 36 | empty |
| 5 | 149 | 0.71 | 0.90 | 23 | empty |
Interfaces
8 interfaces between chains.
- A–C · 1155 Ų buried · 13 hydrogen bonds · protein-protein
- D–F · 1104 Ų buried · 14 hydrogen bonds · protein-protein
- D–E · 1102 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 1012 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 973 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 5BKA · 2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor · 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 Q7AKI2
- Elsewhere: RCSB PDB 5BKA · PDBe 5BKA · UniProt Q7AKI2
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