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Zinc in PDB 3mhk: Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol

Enzymatic activity of Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol

All present enzymatic activity of Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol:
2.4.2.30;

Protein crystallography data

The structure of Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol, PDB code: 3mhk was solved by T.Karlberg, P.Schutz, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, I.Johansson, T.Kotenyova, N.Markova, M.Moche, P.Nordlund, T.Nyman, C.Persson, M.I.Siponen, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Welin, M.Wisniewska, H.Schuler, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.24 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 92.484, 92.484, 53.506, 90.00, 90.00, 120.00
R / Rfree (%) 17.7 / 22.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol (pdb code 3mhk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol, PDB code: 3mhk:

Zinc binding site 1 out of 1 in 3mhk

Go back to Zinc Binding Sites List in 3mhk
Zinc binding site 1 out of 1 in the Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Tankyrase 2 - Catalytic Parp Domain in Complex with 2-(2- Pyridyl)-7,8-Dihydro-5H-Thiino[4,3-D]Pyrimidin-4-Ol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1

b:25.1
occ:1.00
 ND1 A:HIS1084 2.0 26.4 1.0
SG A:CYS1092 2.2 16.0 1.0
SG A:CYS1089 2.3 17.0 1.0
SG A:CYS1081 2.3 21.3 1.0
CE1 A:HIS1084 2.8 26.9 1.0
CG A:HIS1084 3.1 24.9 1.0
CB A:CYS1081 3.2 22.1 1.0
CB A:CYS1089 3.3 15.9 1.0
CB A:CYS1092 3.4 17.1 1.0
CB A:HIS1084 3.6 23.7 1.0
N A:HIS1084 3.8 23.7 1.0
NE2 A:HIS1084 3.9 27.6 1.0
N A:CYS1092 4.0 16.3 1.0
CD2 A:HIS1084 4.1 26.8 1.0
O A:HOH49 4.2 23.2 1.0
CA A:CYS1092 4.3 16.9 1.0
CA A:HIS1084 4.3 23.4 1.0
CB A:VAL1083 4.5 24.9 1.0
CA A:CYS1081 4.6 22.3 1.0
CA A:CYS1089 4.7 15.6 1.0
C A:VAL1083 4.7 24.5 1.0
CB A:ILE1091 4.8 14.9 1.0
N A:VAL1083 4.9 25.2 1.0
CA A:VAL1083 4.9 24.9 1.0

Reference:

E.Wahlberg, T.Karlberg, E.Kouznetsova, N.Markova, A.Macchiarulo, A.G.Thorsell, E.Pol, A.Frostell, T.Ekblad, B.Kull, G.M.Robertson, R.Pellicciari, H.Schuler, J.Weigelt. Family-Wide Chemical Profiling and Structural Analysis of Parp and Tankyrase Inhibitors Nat.Biotechnol. V. 30 283 2012.
ISSN: ISSN 1087-0156
PubMed: 22343925
DOI: 10.1038/NBT.2121
Page generated: Sat Oct 26 09:29:50 2024

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