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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

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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

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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

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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

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