Research workbench
Crystal structure of a RV0851C ortholog short chain dehydrogenase from mycobacterium paratuberculosis
Analyse Crystal structure of a RV0851C ortholog short chain dehydrogenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TJR
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short chain dehydrogenase
- EC
- 1.-.-.-
- UniProt
- Q742X5
- Ligands
- UNL
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short chain dehydrogenase (EC 1.-.-.-) | protein | 256 | 55% helix, 14% strand | Q742X5 |
| B | Short chain dehydrogenase (EC 1.-.-.-) | protein | 265 | 52% helix, 15% strand | Q742X5 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.77 | 0.87 | 43 | UNL |
| 2 | 274 | 0.62 | 0.80 | 46 | empty |
| 3 | 83 | 0.39 | 0.77 | 17 | empty |
| 4 | 68 | 0.33 | 0.76 | 16 | empty |
| 5 | 79 | 0.32 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 3146 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 3TJR · Crystal structure of a Rv0851c ortholog short chain dehydrogenase from Mycobacterium… · 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 Q742X5
- Elsewhere: RCSB PDB 3TJR · PDBe 3TJR · UniProt Q742X5
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