Atomistry » Zinc » PDB 4ufy-4upt » 4ui4
Atomistry »
  Zinc »
    PDB 4ufy-4upt »
      4ui4 »

Zinc in PDB 4ui4: Crystal Structure of Human Tankyrase 2 in Complex with Ta-29

Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Ta-29

All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Ta-29:
2.4.2.30;

Protein crystallography data

The structure of Crystal Structure of Human Tankyrase 2 in Complex with Ta-29, PDB code: 4ui4 was solved by T.Haikarainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.97 / 2.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 93.220, 97.080, 117.410, 90.00, 90.00, 90.00
R / Rfree (%) 17.218 / 23.059

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-29 (pdb code 4ui4). 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 Ta-29, PDB code: 4ui4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4ui4

Go back to Zinc Binding Sites List in 4ui4
Zinc binding site 1 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-29


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 Ta-29 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn2115

b:29.2
occ:1.00
ND1 A:HIS1084 2.2 38.0 1.0
SG A:CYS1081 2.3 30.8 1.0
SG A:CYS1089 2.3 25.4 1.0
SG A:CYS1092 2.4 29.0 1.0
CE1 A:HIS1084 3.1 35.6 1.0
CB A:CYS1081 3.2 31.5 1.0
CB A:CYS1089 3.2 24.8 1.0
CG A:HIS1084 3.3 35.3 1.0
CB A:CYS1092 3.3 28.3 1.0
CB A:HIS1084 3.7 35.1 1.0
N A:HIS1084 3.9 36.9 1.0
N A:CYS1092 4.0 25.9 1.0
NE2 A:HIS1084 4.2 38.3 1.0
CA A:CYS1092 4.3 26.8 1.0
CD2 A:HIS1084 4.3 35.6 1.0
CA A:HIS1084 4.4 35.8 1.0
CB A:VAL1083 4.5 36.3 1.0
CA A:CYS1089 4.6 25.6 1.0
CA A:CYS1081 4.6 32.8 1.0
CB A:ILE1091 4.8 31.5 1.0
C A:VAL1083 4.8 36.8 1.0
N A:VAL1083 4.9 35.7 1.0
CA A:VAL1083 5.0 35.3 1.0
O A:HOH2069 5.0 36.3 1.0

Zinc binding site 2 out of 2 in 4ui4

Go back to Zinc Binding Sites List in 4ui4
Zinc binding site 2 out of 2 in the Crystal Structure of Human Tankyrase 2 in Complex with Ta-29


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 Ta-29 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2116

b:29.6
occ:1.00
ND1 B:HIS1084 2.1 30.2 1.0
SG B:CYS1092 2.1 30.5 1.0
SG B:CYS1089 2.3 22.9 1.0
SG B:CYS1081 2.4 30.5 1.0
CE1 B:HIS1084 2.9 30.5 1.0
CB B:CYS1081 3.1 29.9 1.0
CG B:HIS1084 3.2 30.9 1.0
CB B:CYS1089 3.3 22.8 1.0
CB B:CYS1092 3.3 28.7 1.0
CB B:HIS1084 3.6 29.2 1.0
N B:HIS1084 3.9 30.3 1.0
N B:CYS1092 4.0 27.4 1.0
NE2 B:HIS1084 4.1 32.9 1.0
O B:HOH2055 4.1 52.4 1.0
CD2 B:HIS1084 4.2 31.0 1.0
CA B:CYS1092 4.3 28.5 1.0
CA B:HIS1084 4.3 28.7 1.0
CB B:VAL1083 4.5 35.8 1.0
CA B:CYS1081 4.6 29.8 1.0
CA B:CYS1089 4.7 22.8 1.0
C B:VAL1083 4.8 30.7 1.0
CB B:ILE1091 4.8 30.7 1.0
N B:VAL1083 4.9 31.9 1.0
CA B:VAL1083 5.0 32.3 1.0
O B:HOH2054 5.0 33.2 1.0

Reference:

A.Nathubhai, T.Haikarainen, P.C.Hayward, S.Munoz-Descalzo, A.S.Thompson, M.D.Lloyd, L.Lehtio, M.D.Threadgill. Structure-Activity Relationships of 2-Arylquinazolin-4-Ones As Highly Selective and Potent Inhibitors of the Tankyrases. Eur.J.Med.Chem. V. 118 316 2016.
ISSN: ISSN 0223-5234
PubMed: 27163581
DOI: 10.1016/J.EJMECH.2016.04.041
Page generated: Wed Dec 16 05:48:49 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