MolNFT v1 · #122948 · protein
The crystal structure of inhibitor bound to jcv helicase
5J4V · Large T antigen: “The crystal structure of inhibitor bound to jcv helicase”. X-ray diffraction, 3 ligands (6JH, ZN, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #122948 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5J4V
- Type
- protein
- Length
- 358 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
- 6JH, ZN, SO4
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Large T antigen (EC 3.6.4.-) | protein | 358 | 59% helix, 8% strand | P03072 |
Ligands and binding sites
- 6JH · 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 388 | 0.65 | 0.79 | 50 | empty |
| 2 | 93 | 0.52 | 0.83 | 13 | empty |
| 3 | 123 | 0.46 | 0.78 | 22 | SO4, 6JH |
Compared structures
- 5J4V · The crystal structure of Inhibitor Bound to JCV Helicase · 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 5J4V · PDBe 5J4V · UniProt P03072
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