MolNFT v1 · #184387 · protein
Crystal structure of a candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop
7OOL: “Crystal structure of a candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.62). MolNFT v1 #184387 on GenesisL1: 3D structure, binding…
- PDB
- 7OOL
- Type
- protein
- Length
- 212 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin
- UniProt
- S3DGC4
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin | protein | 106 | 37% helix, 27% strand | S3DGC4 |
| B | Thioredoxin | protein | 106 | 36% helix, 28% strand | S3DGC4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains A
- GOL · Glycerol · additive · chains B
- PGE · Triethylene glycol · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 320 | 0.62 | 0.79 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 377 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7OOL · Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an… · 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 S3DGC4
- Elsewhere: RCSB PDB 7OOL · PDBe 7OOL · UniProt S3DGC4
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