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Human tankyrase 2 - catalytic parp domain in complex with 2-(2- pyridyl)-7,8-dihydro-5H-THIINO[4,3-D]PYRIMIDIN-4-ol

Analyse Human tankyrase 2 - catalytic parp domain in complex with 2-(2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3MHK
Type: protein
Length: 210 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: P4L, ZN
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tankyrase-2 (EC 2.4.2.30)	protein	210	23% helix, 29% strand	Q9H2K2

Ligands and binding sites

P4L · 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol · ligand · chains A
ZN · Zinc ion · metal · chains A
GOL · Glycerol · additive · 3 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	229	0.59	0.80	33	P4L, GOL

Compared structures

3MHK · Human tankyrase 2 - catalytic PARP domain in complex with… · 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 3MHK · PDBe 3MHK · UniProt Q9H2K2

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