MolNFT v1 · #80116 · protein
Crystal structure of short-chain alcohol dehydrogenase from hyperthermophilic archaeon thermococcus sibiricus complexed with 5- hydroxy-NADP
3TN7: “Crystal structure of short-chain alcohol dehydrogenase from hyperthermophilic archaeon thermococcus sibiricus…”. X-ray diffraction, 1 ligand (NJP), 3 pockets (best druggability 0.73). MolNFT v1 #80116 on GenesisL1: 3D structure…
- PDB
- 3TN7
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain alcohol dehydrogenase
- UniProt
- C6A190
- Ligands
- NJP
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Short-chain alcohol dehydrogenase | protein | 234 | 48% helix, 19% strand | C6A190 |
Ligands and binding sites
- NJP · 5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.73 | 0.83 | 50 | NJP |
| 2 | 432 | 0.72 | 0.83 | 48 | NJP |
| 3 | 67 | 0.38 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1512 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3TN7 · Crystal structure of short-chain alcohol dehydrogenase from hyperthermophilic archaeon… · 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 3TN7 · PDBe 3TN7 · UniProt C6A190
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