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Zinc in PDB 4tk0: Crystal Structure of Human Tankyrase 2 in Complex with Dpq.

Enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Dpq.

All present enzymatic activity of Crystal Structure of Human Tankyrase 2 in Complex with Dpq.:
2.4.2.30;

Protein crystallography data

The structure of Crystal Structure of Human Tankyrase 2 in Complex with Dpq., PDB code: 4tk0 was solved by W.Qiu, R.Lam, V.Romanov, R.Gordon, S.Gebremeskel, J.Vodsedalek, C.Thompson, I.Beletskaya, K.P.Battaile, E.F.Pai, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.82 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.040, 79.570, 153.640, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Tankyrase 2 in Complex with Dpq. (pdb code 4tk0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Human Tankyrase 2 in Complex with Dpq., PDB code: 4tk0:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 4tk0

Go back to Zinc Binding Sites List in 4tk0
Zinc binding site 1 out of 3 in the Crystal Structure of Human Tankyrase 2 in Complex with Dpq.


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 Dpq. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1201

b:33.6
occ:1.00
ND1 A:HIS1084 2.1 40.2 1.0
SG A:CYS1089 2.2 31.9 1.0
SG A:CYS1081 2.3 31.1 1.0
SG A:CYS1092 2.4 33.3 1.0
CE1 A:HIS1084 3.0 40.2 1.0
CG A:HIS1084 3.1 40.9 1.0
CB A:CYS1081 3.2 27.2 1.0
CB A:CYS1089 3.3 28.1 1.0
CB A:CYS1092 3.3 27.8 1.0
CB A:HIS1084 3.5 38.3 1.0
N A:HIS1084 3.8 40.2 1.0
N A:CYS1092 3.9 27.5 1.0
NE2 A:HIS1084 4.2 41.7 1.0
CA A:CYS1092 4.2 27.0 1.0
CD2 A:HIS1084 4.3 42.7 1.0
CA A:HIS1084 4.3 38.5 1.0
O A:HOH1511 4.4 50.8 1.0
CA A:CYS1081 4.6 28.5 1.0
CA A:CYS1089 4.6 27.7 1.0
O A:HOH1341 4.7 53.7 1.0
CB A:VAL1083 4.7 48.9 1.0
C A:VAL1083 4.8 48.3 1.0
CB A:ILE1091 4.9 34.3 1.0
O A:HOH1403 4.9 27.1 1.0
N A:VAL1083 5.0 44.1 1.0

Zinc binding site 2 out of 3 in 4tk0

Go back to Zinc Binding Sites List in 4tk0
Zinc binding site 2 out of 3 in the Crystal Structure of Human Tankyrase 2 in Complex with Dpq.


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 Dpq. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1201

b:33.2
occ:1.00
ND1 B:HIS1084 2.1 38.1 1.0
SG B:CYS1089 2.2 29.8 1.0
SG B:CYS1081 2.3 32.6 1.0
SG B:CYS1092 2.4 34.6 1.0
CE1 B:HIS1084 3.0 38.3 1.0
CG B:HIS1084 3.1 38.0 1.0
CB B:CYS1081 3.2 28.2 1.0
CB B:CYS1089 3.2 24.4 1.0
CB B:CYS1092 3.3 29.3 1.0
CB B:HIS1084 3.5 34.9 1.0
N B:HIS1084 3.8 35.9 1.0
N B:CYS1092 4.0 29.0 1.0
O B:HOH1370 4.1 38.9 1.0
NE2 B:HIS1084 4.2 40.2 1.0
CD2 B:HIS1084 4.2 40.4 1.0
CA B:HIS1084 4.2 35.2 1.0
CA B:CYS1092 4.3 28.1 1.0
CA B:CYS1081 4.6 28.3 1.0
CA B:CYS1089 4.6 24.5 1.0
CB B:VAL1083 4.7 44.6 1.0
C B:VAL1083 4.8 42.6 1.0
CB B:ILE1091 4.9 30.9 1.0
N B:VAL1083 4.9 38.8 1.0
CA B:VAL1083 5.0 40.1 1.0
O B:HOH1411 5.0 26.1 1.0

Zinc binding site 3 out of 3 in 4tk0

Go back to Zinc Binding Sites List in 4tk0
Zinc binding site 3 out of 3 in the Crystal Structure of Human Tankyrase 2 in Complex with Dpq.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Tankyrase 2 in Complex with Dpq. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1201

b:32.2
occ:1.00
ND1 C:HIS1084 2.0 36.8 1.0
SG C:CYS1089 2.3 28.4 1.0
SG C:CYS1081 2.3 31.6 1.0
SG C:CYS1092 2.3 31.4 1.0
CE1 C:HIS1084 3.0 36.8 1.0
CG C:HIS1084 3.1 37.2 1.0
CB C:CYS1081 3.2 27.4 1.0
CB C:CYS1089 3.3 23.8 1.0
CB C:CYS1092 3.3 25.6 1.0
CB C:HIS1084 3.5 34.4 1.0
N C:HIS1084 3.8 35.2 1.0
CG1 C:VAL1083 3.9 45.1 1.0
N C:CYS1092 3.9 25.9 1.0
NE2 C:HIS1084 4.2 38.0 1.0
CD2 C:HIS1084 4.2 38.9 1.0
CA C:CYS1092 4.2 24.7 1.0
CA C:HIS1084 4.3 34.9 1.0
O C:HOH1525 4.3 48.4 1.0
O C:HOH1524 4.4 44.1 1.0
CA C:CYS1081 4.6 28.3 1.0
CA C:CYS1089 4.7 24.1 1.0
C C:VAL1083 4.8 41.1 1.0
CB C:ILE1091 4.9 29.1 1.0
O C:HOH1495 4.9 42.3 1.0
O C:HOH1445 4.9 26.5 1.0
CB C:VAL1083 4.9 45.7 1.0
N C:VAL1083 5.0 39.6 1.0

Reference:

W.Qiu, R.Lam, O.Voytyuk, V.Romanov, R.Gordon, S.Gebremeskel, J.Vodsedalek, C.Thompson, I.Beletskaya, K.P.Battaile, E.F.Pai, R.Rottapel, N.Y.Chirgadze. Insights Into the Binding of Parp Inhibitors to the Catalytic Domain of Human Tankyrase-2 Acta Crystallogr.,Sect.D V. D70 2740 2014.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714017660
Page generated: Wed Dec 16 05:46:52 2020

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