Research workbench
The crystal structure of N-(4-(2-(THIAZOLO[5,4-C]PYRIDIN-2-yl) PHENOXY)PHENYL)ACETAMIDE bound to jcv helicase
Analyse The crystal structure of N-(4-(2-(THIAZOLO[5,4-C]PYRIDIN-2-yl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5J4Y
- Type
- protein
- Length
- 363 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Large T antigen
- EC
- 3.6.4.-
- UniProt
- P03072
- Ligands
- 6JG, ZN, SO4
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Large T antigen (EC 3.6.4.-) | protein | 363 | 58% helix, 8% strand | P03072 |
Ligands and binding sites
- 6JG · N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 489 | 0.68 | 0.79 | 58 | SO4 |
| 2 | 103 | 0.53 | 0.82 | 15 | empty |
| 3 | 105 | 0.44 | 0.78 | 20 | SO4, 6JG |
Compared structures
- 5J4Y · The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide… · 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 P03072
- Elsewhere: RCSB PDB 5J4Y · PDBe 5J4Y · UniProt P03072
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