Research workbench
Crystal structure of a short-chain type DEHYDROGENASE/REDUCTASE from mycobacterium marinum
Analyse Crystal structure of a short-chain type 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
- 3R1I
- Type
- protein
- Length
- 501 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain type DEHYDROGENASE/REDUCTASE
- UniProt
- B2HE09
- Ligands
- MG
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain type DEHYDROGENASE/REDUCTASE | protein | 254 | 52% helix, 15% strand | B2HE09 |
| B | Short-chain type DEHYDROGENASE/REDUCTASE | protein | 247 | 51% helix, 15% strand | B2HE09 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.73 | 0.85 | 45 | EDO |
| 2 | 418 | 0.67 | 0.80 | 44 | empty |
| 3 | 137 | 0.43 | 0.76 | 18 | empty |
| 4 | 108 | 0.41 | 0.76 | 18 | empty |
| 5 | 119 | 0.40 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1840 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3R1I · Crystal structure of a short-chain type dehydrogenase/reductase from Mycobacterium marinum · 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 B2HE09
- Elsewhere: RCSB PDB 3R1I · PDBe 3R1I · UniProt B2HE09
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