Atomistry » Chlorine » PDB 5vc5-5vm6 » 5vja
Atomistry »
  Chlorine »
    PDB 5vc5-5vm6 »
      5vja »

Chlorine in PDB 5vja: Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)

Enzymatic activity of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)

All present enzymatic activity of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38):
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38), PDB code: 5vja was solved by D.A.Carlson, M.R.Singer, C.Sutherland, C.Redondo, L.Alexander, P.F.Hughes, S.Knapp, J.A.Macdonald, T.A.J.Haystead, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 115.02 / 2.46
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.492, 98.491, 115.022, 90.00, 90.07, 90.00
R / Rfree (%) 18.8 / 23.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38) (pdb code 5vja). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38), PDB code: 5vja:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5vja

Go back to Chlorine Binding Sites List in 5vja
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:44.2
occ:1.00
 CL A:DUK1002 0.0 44.2 1.0
C1 A:DUK1002 1.7 30.9 1.0
C A:DUK1002 2.6 29.3 1.0
C3 A:DUK1002 2.7 32.7 1.0
O A:HOH1159 3.1 18.1 1.0
O A:VAL96 3.4 30.1 1.0
CE A:MET146 3.6 31.9 1.0
CG2 A:VAL96 3.8 27.8 1.0
C2 A:DUK1002 3.9 26.7 1.0
C5 A:DUK1002 3.9 34.9 1.0
CD1 A:LEU19 4.2 26.6 1.0
CD2 A:LEU19 4.4 28.8 1.0
C4 A:DUK1002 4.4 31.6 1.0
CB A:LEU19 4.5 28.7 1.0
CG A:LEU19 4.6 28.2 1.0
C A:VAL96 4.6 28.4 1.0
O A:HOH1161 4.8 22.7 1.0

Chlorine binding site 2 out of 4 in 5vja

Go back to Chlorine Binding Sites List in 5vja
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1002

b:45.6
occ:1.00
 CL B:DUK1002 0.0 45.6 1.0
C1 B:DUK1002 1.7 33.9 1.0
C B:DUK1002 2.7 32.8 1.0
C3 B:DUK1002 2.7 35.5 1.0
O B:HOH1125 3.2 30.9 1.0
O B:VAL96 3.3 27.6 1.0
CE B:MET146 3.8 33.7 1.0
CG2 B:VAL96 3.9 25.3 1.0
C2 B:DUK1002 4.0 30.5 1.0
C5 B:DUK1002 4.0 36.2 1.0
CD1 B:LEU19 4.1 26.0 1.0
CD2 B:LEU19 4.3 27.7 1.0
CB B:LEU19 4.4 27.2 1.0
C4 B:DUK1002 4.5 34.6 1.0
CG B:LEU19 4.5 26.9 1.0
C B:VAL96 4.6 27.0 1.0
O B:HOH1221 4.8 56.2 1.0
CD1 B:LEU95 4.9 27.1 1.0
O B:HOH1132 5.0 28.0 1.0

Chlorine binding site 3 out of 4 in 5vja

Go back to Chlorine Binding Sites List in 5vja
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1002

b:65.6
occ:1.00
 CL C:DUK1002 0.0 65.6 1.0
C1 C:DUK1002 1.7 60.9 1.0
C C:DUK1002 2.6 63.7 1.0
C3 C:DUK1002 2.7 58.7 1.0
CE C:MET146 3.7 58.5 1.0
O C:VAL96 3.8 63.9 1.0
O C:HOH1198 3.9 41.7 1.0
C2 C:DUK1002 3.9 61.7 1.0
C5 C:DUK1002 4.0 64.1 1.0
CD1 C:LEU19 4.1 73.1 1.0
C4 C:DUK1002 4.5 66.9 1.0
CB C:LEU19 4.5 69.0 1.0
CD1 C:LEU95 4.6 52.6 1.0
CG C:LEU19 4.7 73.5 1.0
CD2 C:LEU19 4.9 76.2 1.0
C C:VAL96 4.9 61.7 1.0

Chlorine binding site 4 out of 4 in 5vja

Go back to Chlorine Binding Sites List in 5vja
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Zipper-Interacting Protein Kinase (Zipk, Alias DAPK3) in Complex with A Pyrazolo[3,4-D]Pyrimidinone Ligand (HS38) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:70.2
occ:1.00
 CL D:DUK303 0.0 70.2 1.0
C1 D:DUK303 1.7 54.5 1.0
C D:DUK303 2.6 56.4 1.0
C3 D:DUK303 2.7 47.1 1.0
CE D:MET146 3.6 52.9 1.0
O D:VAL96 3.7 52.3 1.0
C2 D:DUK303 3.9 51.5 1.0
C5 D:DUK303 4.0 46.7 1.0
CD1 D:LEU19 4.1 69.0 1.0
C4 D:DUK303 4.5 52.0 1.0
CB D:LEU19 4.5 62.8 1.0
CD1 D:LEU95 4.6 44.1 1.0
CG D:LEU19 4.7 70.0 1.0
C D:VAL96 4.9 50.2 1.0
CD2 D:LEU19 4.9 71.1 1.0

Reference:

D.A.Carlson, M.R.Singer, C.Sutherland, C.Redondo, L.T.Alexander, P.F.Hughes, S.Knapp, S.B.Gurley, M.A.Sparks, J.A.Macdonald, T.A.J.Haystead. Targeting Pim Kinases and DAPK3 to Control Hypertension. Cell Chem Biol V. 25 1195 2018.
ISSN: ESSN 2451-9448
PubMed: 30033129
DOI: 10.1016/J.CHEMBIOL.2018.06.006
Page generated: Fri Jul 26 18:50:45 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy