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Bromine in PDB 1hkx: Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase

Enzymatic activity of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase

All present enzymatic activity of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase:
2.7.1.123;

Protein crystallography data

The structure of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase, PDB code: 1hkx was solved by A.Hoelz, A.C.Nairn, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.84 / 2.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.946, 118.043, 157.820, 90.00, 110.91, 90.00
R / Rfree (%) 24.6 / 27.9

Other elements in 1hkx:

The structure of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase also contains other interesting chemical elements:

Tantalum (Ta) 6 atoms
Chlorine (Cl) 14 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase (pdb code 1hkx). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase, PDB code: 1hkx:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 1hkx

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Bromine binding site 1 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:52.9
occ:1.00
 BR1 A:TBR2000 0.0 52.9 1.0
TA2 A:TBR2000 2.7 64.1 1.0
TA1 A:TBR2000 2.7 65.3 1.0
BR5 A:TBR2000 3.7 54.5 1.0
BR2 A:TBR2000 3.7 53.5 1.0
BR4 A:TBR2000 3.7 54.5 1.0
BRA A:TBR2000 3.7 54.0 1.0
TA3 A:TBR2000 4.3 64.7 1.0
TA6 A:TBR2000 4.3 65.7 1.0

Bromine binding site 2 out of 12 in 1hkx

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Bromine binding site 2 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:53.5
occ:1.00
 BR2 A:TBR2000 0.0 53.5 1.0
TA1 A:TBR2000 2.6 65.3 1.0
TA3 A:TBR2000 2.7 64.7 1.0
O B:HOH2003 3.5 25.7 1.0
BR1 A:TBR2000 3.7 52.9 1.0
BR3 A:TBR2000 3.7 50.2 1.0
BR5 A:TBR2000 3.7 54.5 1.0
BRC A:TBR2000 3.7 52.9 1.0
TA2 A:TBR2000 4.2 64.1 1.0
TA5 A:TBR2000 4.3 66.1 1.0
CA A:GLY423 4.4 63.6 1.0
N A:GLY423 4.6 62.6 1.0

Bromine binding site 3 out of 12 in 1hkx

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Bromine binding site 3 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:50.2
occ:1.00
 BR3 A:TBR2000 0.0 50.2 1.0
TA5 A:TBR2000 2.6 66.1 1.0
TA1 A:TBR2000 2.7 65.3 1.0
BR9 A:TBR2000 3.7 56.5 1.0
BR2 A:TBR2000 3.7 53.5 1.0
CE1 B:HIS456 3.7 57.4 1.0
BRC A:TBR2000 3.7 52.9 1.0
BR4 A:TBR2000 3.7 54.5 1.0
O B:HOH2003 3.8 25.7 1.0
NE2 B:HIS456 4.2 55.5 1.0
TA3 A:TBR2000 4.2 64.7 1.0
TA6 A:TBR2000 4.2 65.7 1.0
ND1 B:HIS456 4.8 57.6 1.0

Bromine binding site 4 out of 12 in 1hkx

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Bromine binding site 4 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:54.5
occ:1.00
 BR4 A:TBR2000 0.0 54.5 1.0
TA6 A:TBR2000 2.6 65.7 1.0
TA1 A:TBR2000 2.7 65.3 1.0
BRA A:TBR2000 3.7 54.0 1.0
BR9 A:TBR2000 3.7 56.5 1.0
BR1 A:TBR2000 3.7 52.9 1.0
BR3 A:TBR2000 3.7 50.2 1.0
TA2 A:TBR2000 4.2 64.1 1.0
TA5 A:TBR2000 4.3 66.1 1.0

Bromine binding site 5 out of 12 in 1hkx

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Bromine binding site 5 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:54.5
occ:1.00
 BR5 A:TBR2000 0.0 54.5 1.0
TA2 A:TBR2000 2.6 64.1 1.0
TA3 A:TBR2000 2.7 64.7 1.0
C4 A:DTT1475 3.3 74.6 1.0
O2 A:DTT1475 3.4 77.7 1.0
O3 A:DTT1475 3.5 73.5 1.0
BR8 A:TBR2000 3.6 52.1 1.0
BR1 A:TBR2000 3.7 52.9 1.0
BR2 A:TBR2000 3.7 53.5 1.0
BRB A:TBR2000 3.7 52.2 1.0
C3 A:DTT1475 3.8 75.3 1.0
C2 A:DTT1475 4.0 75.5 1.0
TA1 A:TBR2000 4.2 65.3 1.0
TA4 A:TBR2000 4.2 66.2 1.0
OD1 A:ASP424 4.3 72.9 1.0
OD2 A:ASP424 4.4 75.2 1.0
CG A:ASP424 4.7 72.5 1.0
S4 A:DTT1475 4.7 79.5 1.0
C1 A:DTT1475 4.8 77.4 1.0

Bromine binding site 6 out of 12 in 1hkx

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Bromine binding site 6 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:53.0
occ:1.00
 BR6 A:TBR2000 0.0 53.0 1.0
TA5 A:TBR2000 2.6 66.1 1.0
TA4 A:TBR2000 2.7 66.2 1.0
CD1 A:LEU421 3.5 49.9 1.0
BRC A:TBR2000 3.7 52.9 1.0
BR7 A:TBR2000 3.7 51.3 1.0
BRB A:TBR2000 3.7 52.2 1.0
BR9 A:TBR2000 3.7 56.5 1.0
CB A:LEU421 3.7 48.9 1.0
CG2 A:THR343 3.8 83.9 1.0
TA3 A:TBR2000 4.2 64.7 1.0
CG A:LEU421 4.2 49.7 1.0
TA6 A:TBR2000 4.3 65.7 1.0
CB A:THR343 4.4 84.0 1.0
O A:HOH2005 4.5 27.0 1.0
O A:LEU421 4.9 52.4 1.0
CA A:LEU421 5.0 50.2 1.0

Bromine binding site 7 out of 12 in 1hkx

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Bromine binding site 7 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:51.3
occ:1.00
 BR7 A:TBR2000 0.0 51.3 1.0
TA4 A:TBR2000 2.6 66.2 1.0
TA6 A:TBR2000 2.6 65.7 1.0
CG2 A:THR343 3.4 83.9 1.0
BR6 A:TBR2000 3.7 53.0 1.0
BR9 A:TBR2000 3.7 56.5 1.0
BR8 A:TBR2000 3.7 52.1 1.0
BRA A:TBR2000 3.7 54.0 1.0
TA5 A:TBR2000 4.2 66.1 1.0
TA2 A:TBR2000 4.2 64.1 1.0
O A:GLU339 4.6 0.4 1.0
CB A:THR343 4.7 84.0 1.0
C A:GLU339 4.9 0.2 1.0

Bromine binding site 8 out of 12 in 1hkx

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Bromine binding site 8 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:52.1
occ:1.00
 BR8 A:TBR2000 0.0 52.1 1.0
TA2 A:TBR2000 2.6 64.1 1.0
TA4 A:TBR2000 2.7 66.2 1.0
O2 A:DTT1475 3.3 77.7 1.0
C1 A:DTT1475 3.4 77.4 1.0
BR5 A:TBR2000 3.6 54.5 1.0
BRA A:TBR2000 3.6 54.0 1.0
BR7 A:TBR2000 3.7 51.3 1.0
BRB A:TBR2000 3.7 52.2 1.0
C2 A:DTT1475 3.9 75.5 1.0
OD1 A:ASP342 3.9 91.0 1.0
O3 A:DTT1475 4.0 73.5 1.0
CB A:GLU339 4.1 1.0 1.0
S1 A:DTT1475 4.2 72.3 1.0
OE1 A:GLU339 4.2 0.5 1.0
TA3 A:TBR2000 4.2 64.7 1.0
TA6 A:TBR2000 4.2 65.7 1.0
OD2 A:ASP342 4.3 87.4 1.0
CA A:GLU339 4.4 0.8 1.0
CG A:ASP342 4.5 89.5 1.0
C3 A:DTT1475 4.6 75.3 1.0
CG2 A:THR343 4.6 83.9 1.0
C A:GLU339 4.7 0.2 1.0
CG A:GLU339 4.9 0.8 1.0
O A:GLU339 5.0 0.4 1.0

Bromine binding site 9 out of 12 in 1hkx

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Bromine binding site 9 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:56.5
occ:1.00
 BR9 A:TBR2000 0.0 56.5 1.0
TA6 A:TBR2000 2.7 65.7 1.0
TA5 A:TBR2000 2.7 66.1 1.0
BR7 A:TBR2000 3.7 51.3 1.0
BR3 A:TBR2000 3.7 50.2 1.0
BR4 A:TBR2000 3.7 54.5 1.0
BR6 A:TBR2000 3.7 53.0 1.0
TA4 A:TBR2000 4.2 66.2 1.0
TA1 A:TBR2000 4.3 65.3 1.0

Bromine binding site 10 out of 12 in 1hkx

Go back to Bromine Binding Sites List in 1hkx
Bromine binding site 10 out of 12 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2000

b:54.0
occ:1.00
 BRA A:TBR2000 0.0 54.0 1.0
TA2 A:TBR2000 2.7 64.1 1.0
TA6 A:TBR2000 2.7 65.7 1.0
BR8 A:TBR2000 3.6 52.1 1.0
BR4 A:TBR2000 3.7 54.5 1.0
BR1 A:TBR2000 3.7 52.9 1.0
BR7 A:TBR2000 3.7 51.3 1.0
TA1 A:TBR2000 4.2 65.3 1.0
TA4 A:TBR2000 4.3 66.2 1.0
OE1 A:GLU339 4.9 0.5 1.0

Reference:

A.Hoelz, A.C.Nairn, J.Kuriyan. Crystal Structure of A Tetradecameric Assembly of the Association Domain of CA2+/Calmodulin-Dependent Kinase II Mol.Cell V. 11 1241 2003.
ISSN: ISSN 1097-2765
PubMed: 12769848
DOI: 10.1016/S1097-2765(03)00171-0
Page generated: Wed Jul 10 16:39:23 2024

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