4PNL: TNKS-2

Crystal structure of TNKS-2 in complex with DR2313. Determined by X-ray diffraction at 1.5 Å resolution. Released 15 Oct 2014.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 4
Atoms: 7,554
Mol. weight: 105.51 kDa
Ligands: DRL, ZN
Released: 15 Oct 2014

Explore 4PNL in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4PNL contains 37 α-helices and 46 β-strands across 4 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: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	964-974	11
β-strand	992-999	8	1
α-helix	1003-1018	16
β-strand	1026-1031	6	1
α-helix	1036-1042	7
α-helix	1046-1048	3
β-strand	1056	1	2
β-strand	1059-1061	3	3
β-strand	1062	1	1
α-helix	1065-1069	5
α-helix	1075-1077	3
α-helix	1093	1
β-strand	1094-1102	9	1
β-strand	1106-1109	4	3
β-strand	1115	1	2
α-helix	1118-1119	2
β-strand	1124-1127	4	3
β-strand	1138-1141	4	3
α-helix	1144-1146	3
β-strand	1147-1157	11	1

Chain B: 9 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	955-956	2	4
α-helix	963-974	12
β-strand	992-1000	9	4
α-helix	1003-1018	16
β-strand	1026-1031	6	4
α-helix	1036-1042	7
α-helix	1046-1048	3
β-strand	1056	1	5
β-strand	1059-1061	3	6
β-strand	1062	1	4
α-helix	1065-1069	5
α-helix	1075-1077	3
β-strand	1094-1102	9	4
β-strand	1106-1109	4	6
β-strand	1115	1	5
α-helix	1118-1119	2
β-strand	1124-1127	4	6
β-strand	1138-1141	4	6
α-helix	1144-1146	3
β-strand	1147-1157	11	4
α-helix	1158-1159	2

Chain C: 10 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	955-957	3	7
α-helix	963-974	12
β-strand	992-1000	9	7
α-helix	1003-1018	16
β-strand	1026-1031	6	7
α-helix	1036-1042	7
α-helix	1046-1048	3
β-strand	1051	1	8
β-strand	1053	1	8
β-strand	1059-1061	3	9
β-strand	1062	1	7
α-helix	1065-1069	5
α-helix	1075-1077	3
α-helix	1093	1
β-strand	1094-1102	9	7
β-strand	1106-1109	4	9
α-helix	1118-1119	2
β-strand	1124-1127	4	9
α-helix	1128-1129	2
β-strand	1138-1141	4	9
α-helix	1144-1146	3
β-strand	1147-1157	11	7

Chain D: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	966-974	9
β-strand	991-999	9	10
α-helix	1003-1019	17
β-strand	1026-1031	6	10
α-helix	1036-1042	7
α-helix	1046-1048	3
β-strand	1056	1	11
β-strand	1059-1061	3	12
β-strand	1062	1	10
α-helix	1065-1069	5
α-helix	1075-1077	3
α-helix	1093	1
β-strand	1094-1102	9	10
β-strand	1106-1109	4	12
β-strand	1115	1	11
α-helix	1118-1119	2
β-strand	1124-1127	4	12
β-strand	1138-1141	4	12
α-helix	1144-1146	3
β-strand	1147-1158	12	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tankyrase-2	A, B, C, D	protein	227	Homo sapiens	Q9H2K2 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>4PNL_1 Tankyrase-2 (chains A, B, C, D)
MGSSHHHHHHSSGRENLYFQGSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKI
QKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGA
GIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMKMAH
SPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEGMV

Ligands and cofactors

ID	Name	Formula	Copies
DRL	2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one	C8 H10 N2 O S	4
ZN	Zinc ion	Zn	4

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

Primary citation

Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Qiu, W., Lam, R., Voytyuk, O. et al. Acta Crystallogr D Biol Crystallogr (2014) 70:2740-2753. DOI 10.1107/S1399004714017660 · 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…
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.

Browse structure collections

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