MolNFT v1 · #94038 · protein

Complex structure of human tankyrase 2 with luteolin

4HKN · Tankyrase-2: “Complex structure of human tankyrase 2 with luteolin”. X-ray diffraction, 3 ligands (LU2, ZN, SO4), 1 pocket (best druggability 0.64). MolNFT v1 #94038 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HKN
Type: protein
Length: 209 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tankyrase-2
EC: 2.4.2.30
UniProt: Q9H2K2
Ligands: LU2, ZN, SO4
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tankyrase-2 (EC 2.4.2.30)	protein	162	28% helix, 25% strand	Q9H2K2
C	Tankyrase-2 (EC 2.4.2.30)	protein	47	6% helix, 45% strand	Q9H2K2

Ligands and binding sites

LU2 · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one · ligand · chains A, C
ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A, C

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	244	0.64	0.82	37	SO4, LU2

Interfaces

1 interface between chains.

A–C · 3081 Å² buried · 63 hydrogen bonds · protein-protein

Compared structures

4HKN · Complex structure of human tankyrase 2 with luteolin · 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 4HKN · PDBe 4HKN · UniProt Q9H2K2

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