Atomistry » Zinc » PDB 3w52-3wnq » 3wf7
Atomistry »
  Zinc »
    PDB 3w52-3wnq »
      3wf7 »

Zinc in PDB 3wf7: Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide

Enzymatic activity of Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide

All present enzymatic activity of Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide, PDB code: 3wf7 was solved by H.Niwa, M.Shirouzu, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.10 / 1.85
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.438, 69.438, 145.649, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 22.4

Other elements in 3wf7:

The structure of Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide (pdb code 3wf7). 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 Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide, PDB code: 3wf7:

Zinc binding site 1 out of 1 in 3wf7

Go back to Zinc Binding Sites List in 3wf7
Zinc binding site 1 out of 1 in the Crystal Structure of S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide


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 S6K1 Kinase Domain in Complex with A Purine Derivative 1-(9H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]Piperidine- 4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:59.0
occ:1.00
 ND1 A:HIS251 2.2 59.9 1.0
ND1 A:HIS245 2.3 0.6 1.0
SG A:CYS240 2.5 61.5 1.0
SG A:CYS254 2.5 64.9 1.0
CE1 A:HIS245 2.9 0.6 1.0
CE1 A:HIS251 3.1 63.3 1.0
CB A:CYS254 3.2 69.5 1.0
CB A:CYS240 3.2 69.3 1.0
CG A:HIS251 3.3 59.5 1.0
CG A:HIS245 3.5 0.6 1.0
CB A:HIS251 3.6 56.6 1.0
NE2 A:HIS245 4.1 0.4 1.0
CB A:HIS245 4.1 0.1 1.0
CA A:HIS251 4.3 61.3 1.0
NE2 A:HIS251 4.3 68.5 1.0
CA A:HIS245 4.3 0.4 1.0
CD2 A:HIS251 4.4 57.8 1.0
CD2 A:HIS245 4.4 0.8 1.0
CA A:CYS240 4.6 65.0 1.0
O A:HIS251 4.6 56.3 1.0
CA A:CYS254 4.7 66.1 1.0
CB A:GLU242 4.7 79.5 1.0
O A:CYS240 4.8 52.9 1.0
C A:CYS240 4.9 58.8 1.0
C A:HIS251 4.9 61.8 1.0

Reference:

H.Niwa, J.Mikuni, S.Sasaki, Y.Tomabechi, K.Honda, M.Ikeda, N.Ohsawa, M.Wakiyama, N.Handa, M.Shirouzu, T.Honma, A.Tanaka, S.Yokoyama. Crystal Structures of the S6K1 Kinase Domain in Complexes with Inhibitors J.Struct.Funct.Genom. V. 15 153 2014.
ISSN: ISSN 1345-711X
PubMed: 25078151
DOI: 10.1007/S10969-014-9188-8
Page generated: Sat Oct 26 18:04:51 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy