Research workbench
Reductive activator for CORRINOID,IRON-sulfur protein
Analyse Reductive activator for CORRINOID,IRON-sulfur protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZYY
- Type
- protein
- Length
- 1,150 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-sulfur cluster binding protein
- UniProt
- Q3ACS2
- Ligands
- FES, MG, SO4, PO4
- Pockets
- 14 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Iron-sulfur cluster binding protein | protein | 628 | 32% helix, 26% strand | Q3ACS2 |
| Y | Iron-sulfur cluster binding protein | protein | 522 | 35% helix, 26% strand | Q3ACS2 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · chains X
- MG · Magnesium ion · metal · 2 copies · chains X, Y
- SO4 · Sulfate ion · ion · 9 copies · chains X, Y
- PO4 · Phosphate ion · ion · 2 copies · chains X, Y
- BU3 · (R,R)-2,3-butanediol · additive · 3 copies · chains X, Y
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 788 | 0.73 | 0.78 | 66 | empty |
| 2 | 462 | 0.72 | 0.82 | 60 | PO4, MG, SO4 |
| 3 | 447 | 0.70 | 0.81 | 52 | PO4, MG, SO4 |
| 4 | 241 | 0.65 | 0.82 | 32 | empty |
| 5 | 223 | 0.55 | 0.78 | 34 | empty |
Interfaces
1 interface between chains.
- X–Y · 1641 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3ZYY · Reductive activator for corrinoid,iron-sulfur protein · the same entry in another collection · chain X against X, 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 Q3ACS2
- Elsewhere: RCSB PDB 3ZYY · PDBe 3ZYY · UniProt Q3ACS2
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