MolNFT v1 · #5313 · protein
The structure of steroid-active alcohol dehydrogenase at 1.54 a resolution
1EE2: “The structure of steroid-active alcohol dehydrogenase at 1.54 a resolution”. X-ray diffraction, 3 ligands (NAD, CHD, ZN), 3 pockets (best druggability 0.77). MolNFT v1 #5313 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1EE2
- Type
- protein
- Length
- 746 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- P00328
- Ligands
- NAD, CHD, ZN
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 373 | 30% helix, 26% strand | P00328 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- CHD · Cholic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 616 | 0.77 | 0.83 | 62 | ZN, NAD, CHD |
| 2 | 542 | 0.76 | 0.83 | 67 | NAD, CHD |
| 3 | 325 | 0.66 | 0.81 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 1512 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 1EE2 · The structure of steroid-active alcohol dehydrogenase at 1.54 a resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P00328 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase S chain (P00328) · a predicted model of the same protein · 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 P00328
- Elsewhere: RCSB PDB 1EE2 · PDBe 1EE2 · UniProt P00328
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