Atomistry » Zinc » PDB 4bua-4c09 » 4buy
Atomistry »
  Zinc »
    PDB 4bua-4c09 »
      4buy »

Zinc in PDB 4buy: Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione

Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione

All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione:
2.4.2.30;

Protein crystallography data

The structure of Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione, PDB code: 4buy 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) 29.52 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 91.660, 98.110, 118.100, 90.00, 90.00, 90.00
R / Rfree (%) 19.121 / 22.496

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione (pdb code 4buy). 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 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione, PDB code: 4buy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4buy

Go back to Zinc Binding Sites List in 4buy
Zinc binding site 1 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione


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 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2162

b:23.7
occ:1.00
SG A:CYS1081 2.2 20.9 1.0
ND1 A:HIS1084 2.2 26.6 1.0
SG A:CYS1089 2.3 20.2 1.0
SG A:CYS1092 2.3 23.4 1.0
CB A:CYS1081 3.2 23.6 1.0
CE1 A:HIS1084 3.2 28.2 1.0
CB A:CYS1092 3.2 21.3 1.0
CB A:CYS1089 3.2 19.2 1.0
CG A:HIS1084 3.2 28.0 1.0
CB A:HIS1084 3.5 25.1 1.0
N A:HIS1084 3.9 27.7 1.0
N A:CYS1092 4.0 19.6 1.0
O A:HOH3165 4.2 42.6 1.0
CA A:CYS1092 4.2 20.4 1.0
CA A:HIS1084 4.3 26.4 1.0
NE2 A:HIS1084 4.3 29.2 1.0
CD2 A:HIS1084 4.4 28.4 1.0
CB A:VAL1083 4.4 28.6 1.0
CA A:CYS1089 4.6 18.4 1.0
CA A:CYS1081 4.7 24.2 1.0
C A:VAL1083 4.8 30.3 1.0
O A:HOH3153 4.8 18.9 1.0
CB A:ILE1091 4.9 22.9 1.0
N A:VAL1083 4.9 27.9 1.0
CA A:VAL1083 5.0 27.6 1.0
CG1 A:VAL1083 5.0 30.1 1.0

Zinc binding site 2 out of 2 in 4buy

Go back to Zinc Binding Sites List in 4buy
Zinc binding site 2 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione


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 5- Methyl-5-(4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)Phenyl) Imidazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2162

b:18.3
occ:1.00
ND1 B:HIS1084 2.1 23.3 1.0
SG B:CYS1089 2.3 16.6 1.0
SG B:CYS1081 2.3 20.0 1.0
SG B:CYS1092 2.3 18.2 1.0
CE1 B:HIS1084 3.0 24.7 1.0
CB B:CYS1081 3.2 19.4 1.0
CB B:CYS1092 3.2 18.2 1.0
CG B:HIS1084 3.2 23.4 1.0
CB B:CYS1089 3.2 16.7 1.0
CB B:HIS1084 3.6 21.9 1.0
N B:HIS1084 3.9 21.6 1.0
N B:CYS1092 4.0 17.9 1.0
NE2 B:HIS1084 4.1 25.8 1.0
CA B:CYS1092 4.2 17.7 1.0
O B:HOH3145 4.2 23.1 1.0
O B:HOH3140 4.2 29.7 1.0
CD2 B:HIS1084 4.3 23.5 1.0
CA B:HIS1084 4.4 21.1 1.0
CB B:VAL1083 4.4 24.6 1.0
CA B:CYS1081 4.6 19.5 1.0
CA B:CYS1089 4.6 17.1 1.0
O B:HOH3133 4.7 18.1 1.0
CB B:ILE1091 4.8 18.9 1.0
C B:VAL1083 4.8 23.4 1.0
CG1 B:VAL1083 4.9 25.8 1.0
N B:VAL1083 4.9 23.1 1.0
CA B:VAL1083 4.9 23.3 1.0

Reference:

T.Haikarainen, J.Koivunen, M.Narwal, H.Venkannagari, E.Obaji, P.Joensuu, T.Pihlajaniemi, L.Lehtio. Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones As Potent and Selective Tankyrase Inhibitors. Chemmedchem V. 8 1978 2013.
ISSN: ISSN 1860-7179
PubMed: 24130191
DOI: 10.1002/CMDC.201300337
Page generated: Wed Dec 16 05:06:15 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy