MolNFT v1 · #122928 · protein

The X-ray structure of inhibitor bound to jcv helicase

5J47 · Large T antigen: “The X-ray structure of inhibitor bound to jcv helicase”. X-ray diffraction, 2 ligands (6JJ, ZN), 3 pockets (best druggability 0.63). MolNFT v1 #122928 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5J47
Type: protein
Length: 360 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: 6JJ, ZN
Pockets: 3 · best druggability 0.63

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	360	58% helix, 8% strand	P03072

Ligands and binding sites

6JJ · 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole · ligand · chains A
ZN · Zinc ion · metal · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	399	0.63	0.78	48	empty
2	96	0.52	0.82	13	empty
3	94	0.43	0.78	17	6JJ

Compared structures

5J47 · The X-ray 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 5J47 · PDBe 5J47 · UniProt P03072

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