Atomistry » Fluorine » PDB 6slz-6tan » 6t6f
Atomistry »
  Fluorine »
    PDB 6slz-6tan »
      6t6f »

Fluorine in PDB 6t6f: Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)

Enzymatic activity of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)

All present enzymatic activity of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275):
2.7.11.17;

Protein crystallography data

The structure of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275), PDB code: 6t6f was solved by F.Sorrell, A.Kraemer, S.Butterworth, A.M.Edwards, C.H.Arrowsmith, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.91 / 1.97
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 109.950, 115.730, 53.960, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 23.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) (pdb code 6t6f). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275), PDB code: 6t6f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 1 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:56.1
occ:1.00
 F A:MMW401 0.0 56.1 1.0
C16 A:MMW401 1.3 54.9 1.0
F2 A:MMW401 2.1 57.0 1.0
F1 A:MMW401 2.1 56.6 1.0
C14 A:MMW401 2.4 49.3 1.0
C13 A:MMW401 2.7 47.1 1.0
C15 A:MMW401 3.6 44.8 1.0
C12 A:MMW401 4.1 46.4 1.0
C10 A:MMW401 4.8 44.0 1.0
C11 A:MMW401 5.0 44.8 1.0
CB A:SER102 5.0 44.8 1.0

Fluorine binding site 2 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 2 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:56.6
occ:1.00
 F1 A:MMW401 0.0 56.6 1.0
C16 A:MMW401 1.3 54.9 1.0
F2 A:MMW401 2.1 57.0 1.0
F A:MMW401 2.1 56.1 1.0
C14 A:MMW401 2.4 49.3 1.0
C15 A:MMW401 2.9 44.8 1.0
CB A:SER102 3.2 44.8 1.0
CA A:SER102 3.3 43.8 1.0
C13 A:MMW401 3.5 47.1 1.0
O A:VAL101 3.9 44.6 1.0
N A:SER102 4.2 41.4 1.0
C10 A:MMW401 4.3 44.0 1.0
C A:SER102 4.3 45.2 1.0
O A:SER102 4.3 46.1 1.0
O A:HOH566 4.3 45.5 1.0
C A:VAL101 4.4 42.4 1.0
CD1 A:LEU100 4.5 41.9 1.0
OG A:SER102 4.5 46.0 1.0
CG A:LEU100 4.7 41.8 1.0
CD2 A:LEU100 4.7 43.4 1.0
C12 A:MMW401 4.7 46.4 1.0
C11 A:MMW401 5.0 44.8 1.0

Fluorine binding site 3 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 3 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:57.0
occ:1.00
 F2 A:MMW401 0.0 57.0 1.0
C16 A:MMW401 1.3 54.9 1.0
F1 A:MMW401 2.1 56.6 1.0
F A:MMW401 2.1 56.1 1.0
C14 A:MMW401 2.3 49.3 1.0
C15 A:MMW401 3.0 44.8 1.0
C13 A:MMW401 3.4 47.1 1.0
CD2 A:LEU39 4.0 46.6 1.0
CD2 A:LEU29 4.2 40.2 1.0
CD1 A:LEU100 4.2 41.9 1.0
C10 A:MMW401 4.3 44.0 1.0
C12 A:MMW401 4.5 46.4 1.0
CD1 A:LEU39 4.6 44.5 1.0
CD2 A:LEU100 4.7 43.4 1.0
CG A:LEU39 4.7 44.7 1.0
CG A:LEU100 4.9 41.8 1.0
C11 A:MMW401 4.9 44.8 1.0
CB A:LEU39 4.9 41.2 1.0
CD1 A:LEU29 4.9 39.9 1.0

Fluorine binding site 4 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 4 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:61.4
occ:1.00
 F B:MMW401 0.0 61.4 1.0
C16 B:MMW401 1.3 59.2 1.0
F2 B:MMW401 2.1 61.2 1.0
F1 B:MMW401 2.1 60.8 1.0
C14 B:MMW401 2.4 53.7 1.0
C13 B:MMW401 2.8 51.9 1.0
C15 B:MMW401 3.6 50.2 1.0
C12 B:MMW401 4.2 49.7 1.0
CB B:SER102 4.5 50.5 1.0
CA B:SER102 4.6 49.3 1.0
C10 B:MMW401 4.7 46.9 1.0
O B:HOH548 4.8 47.5 1.0
O B:SER102 4.9 52.9 1.0
C11 B:MMW401 5.0 47.3 1.0

Fluorine binding site 5 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 5 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:60.8
occ:1.00
 F1 B:MMW401 0.0 60.8 1.0
C16 B:MMW401 1.3 59.2 1.0
F2 B:MMW401 2.1 61.2 1.0
F B:MMW401 2.1 61.4 1.0
C14 B:MMW401 2.4 53.7 1.0
C15 B:MMW401 2.8 50.2 1.0
CB B:SER102 3.3 50.5 1.0
CA B:SER102 3.6 49.3 1.0
C13 B:MMW401 3.6 51.9 1.0
O B:VAL101 3.9 42.8 1.0
CD1 B:LEU100 4.0 49.2 1.0
C10 B:MMW401 4.1 46.9 1.0
CD2 B:LEU100 4.2 52.7 1.0
CG B:LEU100 4.3 50.8 1.0
N B:SER102 4.3 46.5 1.0
C B:VAL101 4.4 44.3 1.0
OG B:SER102 4.6 52.7 1.0
O B:HOH548 4.7 47.5 1.0
C B:SER102 4.7 50.8 1.0
C12 B:MMW401 4.7 49.7 1.0
O B:SER102 4.8 52.9 1.0
C11 B:MMW401 5.0 47.3 1.0
N4 B:MMW401 5.0 43.5 1.0

Fluorine binding site 6 out of 6 in 6t6f

Go back to Fluorine Binding Sites List in 6t6f
Fluorine binding site 6 out of 6 in the Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D (CAMK1D) Bound to Compound 8 (CS275) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:61.2
occ:1.00
 F2 B:MMW401 0.0 61.2 1.0
C16 B:MMW401 1.3 59.2 1.0
F1 B:MMW401 2.1 60.8 1.0
F B:MMW401 2.1 61.4 1.0
C14 B:MMW401 2.3 53.7 1.0
C13 B:MMW401 3.2 51.9 1.0
C15 B:MMW401 3.2 50.2 1.0
CD2 B:LEU39 3.9 49.9 1.0
CD2 B:LEU29 4.3 42.8 1.0
C12 B:MMW401 4.4 49.7 1.0
C10 B:MMW401 4.4 46.9 1.0
CD1 B:LEU100 4.7 49.2 1.0
C11 B:MMW401 4.9 47.3 1.0
CG B:LEU39 4.9 48.0 1.0

Reference:

F.Sorrell, A.Kraemer, S.Butterworth, A.M.Edwards, C.H.Arrowsmith, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc). CAMK1D Bound to CS275 To Be Published.
Page generated: Fri Aug 2 01:55:35 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy