7CE4: Tankyrase2 catalytic domain

Tankyrase2 catalytic domain in complex with K-476. Determined by X-ray diffraction at 1.5 Å resolution. Released 12 May 2021.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,055
Mol. weight: 28.32 kDa
Ligands: KK6, ZN
Released: 12 May 2021

Explore 7CE4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7CE4 contains 10 α-helices and 11 β-strands across 2 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: 7 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	954-957	4	1
α-helix	958-959	2
α-helix	963-974	12
β-strand	992-1001	10	1
α-helix	1003-1018	16
β-strand	1026-1031	6	1
α-helix	1036-1042	7
α-helix	1046-1048	3
β-strand	1050	1	2
β-strand	1058	1	2
β-strand	1059-1062	4	1
α-helix	1065-1069	5
α-helix	1075-1077	3
β-strand	1094-1102	9	1
β-strand	1106-1111	6	1

Chain B: 3 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	1118-1119	2
β-strand	1124-1129	6	1
β-strand	1138-1141	4	1
α-helix	1144-1146	3
β-strand	1147-1157	11	1
α-helix	1158-1160	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Poly [ADP-ribose] polymerase tankyrase-2	A	protein	191	Homo sapiens	Q9H2K2 (AlphaFold model)
Poly [ADP-ribose] polymerase tankyrase-2	B	protein	49	Homo sapiens	Q9H2K2 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7CE4_1 Poly [ADP-ribose] polymerase tankyrase-2 (chains A)
MHHHHHHSSGVDLGTENLYFQSMLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDG
GHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHK
GFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVT
LGKSFLQFSAM

Sequence of entity 2 (B), FASTA

>7CE4_2 Poly [ADP-ribose] polymerase tankyrase-2 (chains B)
KMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEG

Ligands and cofactors

ID	Name	Formula	Copies
KK6	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4…	C31 H29 F N6 O3	1
ZN	Zinc ion	Zn	1

Water and common crystallization additives (PG4, SO4) are not listed.

Primary citation

The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors. Kinosada, H., Okada-Iwasaki, R., Kunieda, K. et al. Am J Cancer Res (2021) 11:264-276. PubMed

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

5BXO 1.33 Å, Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3
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
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.

Browse structure collections

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