Research workbench
Crystal structure of carveol dehydrogenase from mycobacterium thermoresistibile
Analyse Crystal structure of carveol dehydrogenase from mycobacterium thermoresistibile in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OEC
- Type
- protein
- Length
- 1,096 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carveol dehydrogenase (MYTHA.01326.C, A0R518 homolog)
- EC
- 1.1.1.234
- Ligands
- NA
- Pockets
- 4 · best druggability 0.90
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carveol dehydrogenase (MYTHA.01326.C, A0R518 homolog) (EC 1.1.1.234) | protein | 276 | 47% helix, 15% strand | — |
| B | Carveol dehydrogenase (MYTHA.01326.C, A0R518 homolog) (EC 1.1.1.234) | protein | 271 | 49% helix, 15% strand | — |
| C | Carveol dehydrogenase (MYTHA.01326.C, A0R518 homolog) (EC 1.1.1.234) | protein | 274 | 48% helix, 15% strand | — |
| D | Carveol dehydrogenase (MYTHA.01326.C, A0R518 homolog) (EC 1.1.1.234) | protein | 275 | 48% helix, 15% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.90 | 0.92 | 123 | empty |
| 2 | 488 | 0.86 | 0.92 | 67 | empty |
| 3 | 541 | 0.85 | 0.90 | 66 | empty |
| 4 | 583 | 0.80 | 0.85 | 63 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1568 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1540 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1528 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1526 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 207 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3OEC · Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile · 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
- Elsewhere: RCSB PDB 3OEC · PDBe 3OEC
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