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Cocomplex structure of deoxyhypusine synthase with inhibitor 6-[(1R)- 2-amino-1-phenylethyl]-3-(pyridin-3-yl)-4H,5H,6H,7H-THIENO[2,3- C]PYRIDIN-7-one
Analyse Cocomplex structure of deoxyhypusine synthase with inhibitor 6-[(1R)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WKZ
- Type
- protein
- Length
- 590 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyhypusine synthase
- EC
- 2.5.1.46
- UniProt
- P49366
- Ligands
- 8Y1
- Pockets
- 6 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxyhypusine synthase (EC 2.5.1.46) | protein | 294 | 49% helix, 13% strand | P49366 |
| B | Deoxyhypusine synthase (EC 2.5.1.46) | protein | 296 | 49% helix, 13% strand | P49366 |
Ligands and binding sites
- 8Y1 · 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.88 | 0.89 | 113 | 8Y1 |
| 2 | 247 | 0.56 | 0.77 | 25 | empty |
| 3 | 142 | 0.41 | 0.74 | 27 | empty |
| 4 | 95 | 0.38 | 0.76 | 25 | empty |
| 5 | 50 | 0.37 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2082 Ų buried · 19 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 P49366
- Elsewhere: RCSB PDB 6WKZ · PDBe 6WKZ · UniProt P49366
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