MolNFT v1 · #22038 · protein
Crystal structure of a soluble domain of resa in the oxidised form
1ST9 · Thiol-disulfide oxidoreductase resa: “Crystal structure of a soluble domain of resa in the oxidised form”. X-ray diffraction, 1 pocket (best druggability 0.46). MolNFT v1 #22038 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1ST9
- Type
- protein
- Length
- 272 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thiol-disulfide oxidoreductase resa
- UniProt
- P35160
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thiol-disulfide oxidoreductase resa | protein | 137 | 36% helix, 28% strand | P35160 |
| B | Thiol-disulfide oxidoreductase resa | protein | 135 | 37% helix, 29% strand | P35160 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.46 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 302 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1ST9 · Crystal Structure of a Soluble Domain of ResA in the Oxidised Form · the same entry in another collection · chain A against A, TM-score 1.00
- P35160 · AlphaFold monomer V2.0 prediction for thiol-disulfide oxidoreductase resa (P35160) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P35160
- Elsewhere: RCSB PDB 1ST9 · PDBe 1ST9 · UniProt P35160
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