Research workbench
X-ray structure alcohol dehydrogenase from archaeon thermococcus sibiricus complexed with 5-hydroxy-NADP
Analyse X-ray structure alcohol dehydrogenase from archaeon thermococcus sibiricus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3L77
- Type
- protein
- Length
- 235 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain alcohol dehydrogenase
- EC
- 1.1.1.2
- UniProt
- C6A190
- Ligands
- NJP
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain alcohol dehydrogenase (EC 1.1.1.2) | protein | 235 | 46% helix, 16% strand | C6A190 |
Ligands and binding sites
- NJP · 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.73 | 0.83 | 51 | NJP, PG4, GOL |
Compared structures
- 3L77 · X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with… · 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 C6A190
- Elsewhere: RCSB PDB 3L77 · PDBe 3L77 · UniProt C6A190
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