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Zinc in PDB 4avw: Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A

Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A

All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A:
2.4.2.30;

Protein crystallography data

The structure of Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A, PDB code: 4avw was solved by T.Haikarainen, M.Narwal, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.90 / 2.15
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 91.570, 97.990, 117.950, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A (pdb code 4avw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A, PDB code: 4avw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4avw

Go back to Zinc Binding Sites List in 4avw
Zinc binding site 1 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2163

b:21.7
occ:1.00
ND1 A:HIS1084 2.2 21.9 1.0
SG A:CYS1081 2.2 19.4 1.0
SG A:CYS1092 2.3 20.5 1.0
SG A:CYS1089 2.4 18.4 1.0
CE1 A:HIS1084 3.1 23.0 1.0
CB A:CYS1081 3.2 20.9 1.0
CG A:HIS1084 3.2 23.0 1.0
CB A:CYS1089 3.2 18.2 1.0
CB A:CYS1092 3.2 20.1 1.0
CB A:HIS1084 3.5 22.4 1.0
N A:HIS1084 3.9 23.1 1.0
N A:CYS1092 3.9 19.5 1.0
CA A:CYS1092 4.2 20.3 1.0
NE2 A:HIS1084 4.2 22.9 1.0
CD2 A:HIS1084 4.3 22.9 1.0
CA A:HIS1084 4.3 22.8 1.0
CB A:VAL1083 4.6 22.9 1.0
CA A:CYS1081 4.6 21.1 1.0
CA A:CYS1089 4.6 17.8 1.0
CB A:ILE1091 4.8 21.9 1.0
C A:VAL1083 4.8 23.3 1.0
O A:HOH2087 4.9 21.4 1.0
N A:VAL1083 4.9 23.5 1.0
C A:ILE1091 5.0 20.0 1.0

Zinc binding site 2 out of 2 in 4avw

Go back to Zinc Binding Sites List in 4avw
Zinc binding site 2 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Tankyrase 2 in Complex with Tiq-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2163

b:18.1
occ:1.00
ND1 B:HIS1084 2.1 22.1 1.0
SG B:CYS1089 2.2 14.8 1.0
SG B:CYS1081 2.3 18.8 1.0
SG B:CYS1092 2.3 18.8 1.0
CE1 B:HIS1084 3.0 22.2 1.0
CG B:HIS1084 3.2 21.3 1.0
CB B:CYS1081 3.2 18.9 1.0
CB B:CYS1092 3.2 18.2 1.0
CB B:CYS1089 3.3 15.2 1.0
CB B:HIS1084 3.6 20.3 1.0
N B:CYS1092 3.9 17.6 1.0
N B:HIS1084 4.0 19.6 1.0
O B:HOH2060 4.0 23.1 1.0
NE2 B:HIS1084 4.1 21.4 1.0
CA B:CYS1092 4.2 17.3 1.0
CD2 B:HIS1084 4.3 21.9 1.0
CB B:VAL1083 4.4 19.8 1.0
CA B:HIS1084 4.4 20.5 1.0
CA B:CYS1081 4.6 19.2 1.0
CA B:CYS1089 4.7 15.4 1.0
CB B:ILE1091 4.7 16.5 1.0
O B:HOH2057 4.8 14.3 1.0
CG1 B:VAL1083 4.8 19.1 1.0
C B:VAL1083 4.8 20.1 1.0
N B:VAL1083 4.9 20.4 1.0
CA B:VAL1083 5.0 20.1 1.0
C B:ILE1091 5.0 17.5 1.0

Reference:

T.Haikarainen, M.Narwal, P.Joensuu, L.Lehtio. Evaluation and Structural Basis For the Inhibition of Tankyrases By Parp Inhibitors Acs Med.Chem.Lett. V. 5 18 2014.
ISSN: ISSN 1948-5875
PubMed: 24900770
DOI: 10.1021/ML400292S
Page generated: Sat Oct 26 19:24:29 2024

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