Atomistry » Zinc » PDB 3w5k-3woi » 3wf9
Atomistry »
  Zinc »
    PDB 3w5k-3woi »
      3wf9 »

Zinc in PDB 3wf9: Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate

Enzymatic activity of Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate

All present enzymatic activity of Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate, PDB code: 3wf9 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) 34.79 / 2.04
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.546, 62.331, 79.923, 90.00, 128.18, 90.00
R / Rfree (%) 21.4 / 26.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate (pdb code 3wf9). 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 Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate, PDB code: 3wf9:

Zinc binding site 1 out of 1 in 3wf9

Go back to Zinc Binding Sites List in 3wf9
Zinc binding site 1 out of 1 in the Crystal Structure of S6K1 Kinase Domain in Complex with A Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate


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 Quinoline Derivative 1-Oxo-1-[(4-Sulfamoylphenyl)Amino]Propan-2-Yl-2-Methyl-1, 2,3,4-Tetrahydroacridine-9-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:24.9
occ:1.00
 ND1 A:HIS245 2.1 25.2 1.0
ND1 A:HIS251 2.1 27.2 1.0
SG A:CYS254 2.2 25.6 1.0
SG A:CYS240 2.4 26.0 1.0
CE1 A:HIS245 2.9 33.0 1.0
CE1 A:HIS251 3.0 33.3 1.0
CG A:HIS245 3.1 41.6 1.0
CB A:CYS254 3.1 21.4 1.0
CG A:HIS251 3.2 27.6 1.0
CB A:CYS240 3.2 41.7 1.0
CB A:HIS245 3.6 30.2 1.0
CB A:HIS251 3.6 24.4 1.0
NE2 A:HIS245 4.0 37.1 1.0
CA A:HIS251 4.1 29.6 1.0
CA A:HIS245 4.1 36.9 1.0
CD2 A:HIS245 4.1 37.2 1.0
NE2 A:HIS251 4.1 33.8 1.0
CD2 A:HIS251 4.3 28.4 1.0
CB A:GLU242 4.5 25.2 1.0
O A:HOH515 4.6 27.9 1.0
CA A:CYS254 4.6 24.4 1.0
O A:HOH551 4.6 27.1 1.0
O A:HIS251 4.6 28.6 1.0
CA A:CYS240 4.7 33.9 1.0
CG A:GLU242 4.8 31.5 1.0
C A:HIS251 4.9 29.1 1.0
O A:ILE244 4.9 48.8 1.0
N A:ASP246 5.0 44.9 1.0
N A:HIS245 5.0 39.8 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 18:04:50 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy