Research workbench
Crystal structure of a putative ketosteroid isomerase (SFRI_1973) from shewanella frigidimarina ncimb 400 at 1.80 a resolution
Analyse Crystal structure of a putative ketosteroid isomerase (SFRI_1973) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BB9
- Type
- protein
- Length
- 743 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative orphan protein
- UniProt
- Q082J6
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative orphan protein | protein | 123 | 31% helix, 49% strand | Q082J6 |
| B, C, D, E | Putative orphan protein | protein | 125 | 30% helix, 51% strand | Q082J6 |
| F | Putative orphan protein | protein | 120 | 32% helix, 52% strand | Q082J6 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, C, B, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.81 | 0.83 | 111 | EDO |
| 2 | 468 | 0.71 | 0.81 | 61 | EDO |
| 3 | 230 | 0.66 | 0.84 | 29 | EDO |
| 4 | 199 | 0.66 | 0.85 | 29 | EDO |
| 5 | 227 | 0.65 | 0.83 | 29 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1013 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 988 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 973 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 569 Ų buried · 8 hydrogen bonds · protein-protein
- A–E · 359 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 3BB9 · Crystal structure of a putative ketosteroid isomerase (sfri_1973) from shewanella… · 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 Q082J6
- Elsewhere: RCSB PDB 3BB9 · PDBe 3BB9 · UniProt Q082J6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.