MolNFT v1 · #95826 · protein

Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4- methylquinolin-2(1H)-one

4J21 · Tankyrase-2: “Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4- methylquinolin-2(1H)-one”. X-ray diffraction, 3 ligands (AJ6, ZN, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #95826 on GenesisL1: 3D structure, binding…

PDB: 4J21
Type: protein
Length: 209 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tankyrase-2
EC: 2.4.2.30
UniProt: Q9H2K2
Ligands: AJ6, ZN, SO4
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tankyrase-2 (EC 2.4.2.30)	protein	209	24% helix, 29% strand	Q9H2K2

Ligands and binding sites

AJ6 · 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one · ligand · chains A
ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	254	0.66	0.83	42	SO4, AJ6

Compared structures

4J21 · Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one · 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 Q9H2K2
Elsewhere: RCSB PDB 4J21 · PDBe 4J21 · UniProt Q9H2K2

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