5BXO: Human Tankyrase-2

Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3. Determined by X-ray diffraction at 1.33 Å resolution. Released 29 Jun 2016.

Method: X-ray diffraction
Resolution: 1.33 Å
Organism: Homo sapiens
Chains: 4
Atoms: 3,203
Mol. weight: 38.35 kDa
Ligands: 4XP
Released: 29 Jun 2016

Explore 5BXO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5BXO contains 21 α-helices and 0 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	488-502	15
α-helix	505-511	7
α-helix	529-535	7
α-helix	539-547	9
α-helix	562-568	7
α-helix	572-580	9
α-helix	595-602	8
α-helix	605-613	9
α-helix	628-631	4
α-helix	637-644	8

Chain B: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	489-502	14
α-helix	505-511	7
α-helix	529-535	7
α-helix	539-547	9
α-helix	562-568	7
α-helix	572-580	9
α-helix	595-601	7
α-helix	605-613	9
α-helix	628-631	4
α-helix	637-644	8

Chain D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	2-4	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tankyrase-2	A, B	protein	164	Homo sapiens	Q9H2K2 (AlphaFold model)
Tankyrase-2	C, D	protein	10	Homo sapiens	Q9H2K2 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5BXO_1 Tankyrase-2 (chains A, B)
GSGNSEADRQLLEAAKAGDVETVKKLCTVQSVNCRDIEGRQSTPLHFAAGYNRVSVVEYL
LQHGADVHAKDKGGLVPLHNACSYGHYEVAELLVKHGAVVNVADLWKFTPLHEAAAKGKY
EICKLLLQHGADPTKKNRDGNTPLDLVKDGDTDIQDLLRGDAAL

Sequence of entity 2 (C, D), FASTA

>5BXO_2 Tankyrase-2 (chains C, D)
XREAGDGAEX

Ligands and cofactors

ID	Name	Formula	Copies
4XP	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)	C9 H14 N6	2

Water and common crystallization additives (DMS, SO4) are not listed.

Primary citation

Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase. Xu, W., Lau, Y.H., Fischer, G. et al. J Am Chem Soc (2017) 139:2245-2256. DOI 10.1021/jacs.6b10234 · PubMed

Other PDB entries of the same protein (UniProt Q9H2K2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5BXU 1.35 Å, Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5
5NWG 1.4 Å, Crystal structure of TNKS2 in complex with 7-chloro-2-{4-[(2-hydroxyethyl)(methyl)amino]p…
5NWD 1.45 Å, Crystal structure of TNKS2 in complex with 2-[4-(diethylamino)phenyl]-3,4-dihydroquinazol…
4PNL 1.5 Å, Crystal structure of TNKS-2 in complex with DR2313.
5NVE 1.5 Å, Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one
5NWC 1.5 Å, Crystal structure of TNKS2 in complex with 2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one
7CE4 1.5 Å, Tankyrase2 catalytic domain in complex with K-476
5JRT 1.53 Å, Crystal structure of the human Tankyrase 2 (TNKS2) SAM domain (DH902/924RE)
3TWR 1.55 Å, Crystal structure of ARC4 from human Tankyrase 2 in complex with peptide from human 3BP2
5C5R 1.55 Å, Crystal structure of human tankyrase-2 in complex with a pyranopyridone inhibitor
5NVF 1.55 Å, Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazol…
4TJU 1.57 Å, Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C.

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