Research workbench
Crystal structure of probable short-chain dehydrogenase-reductase from mycobacterium tuberculosis
Analyse Crystal structure of probable short-chain dehydrogenase-reductase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GVC
- Type
- protein
- Length
- 999 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable short-chain type DEHYDROGENASE/REDUCTASE
- EC
- 1.-.-.-
- UniProt
- P95273
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable short-chain type DEHYDROGENASE/REDUCTASE (EC 1.-.-.-) | protein | 245 | 51% helix, 16% strand | P95273 |
| B | Probable short-chain type DEHYDROGENASE/REDUCTASE (EC 1.-.-.-) | protein | 255 | 50% helix, 16% strand | P95273 |
| C | Probable short-chain type DEHYDROGENASE/REDUCTASE (EC 1.-.-.-) | protein | 250 | 49% helix, 17% strand | P95273 |
| D | Probable short-chain type DEHYDROGENASE/REDUCTASE (EC 1.-.-.-) | protein | 249 | 52% helix, 16% strand | P95273 |
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.76 | 0.86 | 51 | empty |
| 2 | 401 | 0.72 | 0.83 | 55 | empty |
| 3 | 319 | 0.72 | 0.84 | 50 | empty |
| 4 | 200 | 0.62 | 0.83 | 32 | empty |
| 5 | 159 | 0.58 | 0.82 | 24 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1458 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1418 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 338 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3GVC · Crystal structure of probable short-chain dehydrogenase-reductase 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 P95273
- Elsewhere: RCSB PDB 3GVC · PDBe 3GVC · UniProt P95273
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