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Crystal structure of sulfur-free ynje
Analyse Crystal structure of sulfur-free ynje in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IPP
- Type
- protein
- Length
- 828 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative thiosulfate sulfurtransferase ynje
- EC
- 2.8.1.1
- UniProt
- P78067
- Ligands
- NA, PO4
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative thiosulfate sulfurtransferase ynje (EC 2.8.1.1) | protein | 412 | 34% helix, 17% strand | P78067 |
| B | Putative thiosulfate sulfurtransferase ynje (EC 2.8.1.1) | protein | 416 | 34% helix, 17% strand | P78067 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.76 | 0.83 | 72 | GOL |
| 2 | 633 | 0.66 | 0.75 | 60 | PO4 |
| 3 | 154 | 0.49 | 0.77 | 19 | empty |
| 4 | 141 | 0.46 | 0.77 | 18 | empty |
| 5 | 192 | 0.45 | 0.74 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 743 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
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 P78067
- Elsewhere: RCSB PDB 3IPP · PDBe 3IPP · UniProt P78067
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