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Chlorine 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:

Bromine (Br) 12 atoms
Tantalum (Ta) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase, PDB code: 1hkx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 1hkx

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Chlorine binding site 1 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl1476

b:54.6
occ:1.00
 NH1 A:ARG453 3.1 41.4 1.0
OH A:TYR369 3.3 59.1 1.0
CD1 A:ILE361 3.3 54.3 1.0
NH2 A:ARG453 3.3 42.2 1.0
CZ A:PHE467 3.6 35.5 1.0
CZ A:ARG453 3.7 42.2 1.0
CE2 A:PHE467 3.9 36.7 1.0
CE1 A:PHE467 4.0 35.6 1.0
CZ A:TYR369 4.0 57.7 1.0
CE1 A:TYR369 4.1 58.1 1.0
NH1 A:ARG469 4.1 50.4 1.0
CG1 A:ILE361 4.3 56.6 1.0
CD2 A:PHE467 4.6 36.3 1.0
CD1 A:PHE467 4.6 35.3 1.0
NH2 A:ARG469 4.6 50.4 1.0
O A:HOH2003 4.8 41.5 1.0
CZ A:ARG469 4.9 51.7 1.0
CG A:PHE467 4.9 35.2 1.0
OE2 A:GLU381 4.9 52.1 1.0

Chlorine binding site 2 out of 14 in 1hkx

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Chlorine binding site 2 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1475

b:58.3
occ:1.00
 OH B:TYR369 3.4 56.5 1.0
NH1 B:ARG453 3.5 44.1 1.0
CD1 B:ILE361 3.5 55.3 1.0
CZ B:PHE467 3.5 36.8 1.0
NH2 B:ARG453 3.6 43.0 1.0
CE1 B:PHE467 3.9 35.2 1.0
CZ B:ARG453 4.0 43.9 1.0
CE2 B:PHE467 4.0 35.3 1.0
NH1 B:ARG469 4.0 52.8 1.0
CZ B:TYR369 4.2 54.9 1.0
CE1 B:TYR369 4.3 54.8 1.0
NH2 B:ARG469 4.4 53.4 1.0
CG1 B:ILE361 4.4 55.6 1.0
OE2 B:GLU381 4.6 53.0 1.0
CZ B:ARG469 4.7 53.0 1.0
CD1 B:PHE467 4.7 33.5 1.0
CD2 B:PHE467 4.8 33.9 1.0

Chlorine binding site 3 out of 14 in 1hkx

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Chlorine binding site 3 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


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 Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1475

b:65.4
occ:1.00
 NH1 C:ARG453 3.1 43.5 1.0
NH2 C:ARG453 3.3 43.6 1.0
CD1 C:ILE361 3.3 57.4 1.0
OH C:TYR369 3.5 61.2 1.0
CZ C:PHE467 3.6 38.8 1.0
CZ C:ARG453 3.6 42.2 1.0
O C:HOH2004 3.8 37.9 1.0
CE2 C:PHE467 3.9 38.7 1.0
CE1 C:PHE467 4.0 36.8 1.0
NH1 C:ARG469 4.2 53.5 1.0
CE1 C:TYR369 4.2 59.0 1.0
CZ C:TYR369 4.2 59.1 1.0
CG1 C:ILE361 4.3 58.9 1.0
CD2 C:PHE467 4.5 37.3 1.0
CD1 C:PHE467 4.6 37.3 1.0
NH2 C:ARG469 4.8 51.2 1.0
CG C:PHE467 4.8 36.0 1.0
NE C:ARG453 4.9 41.0 1.0
CZ C:ARG469 5.0 52.8 1.0
OE2 C:GLU381 5.0 52.9 1.0

Chlorine binding site 4 out of 14 in 1hkx

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Chlorine binding site 4 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


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 Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1475

b:68.4
occ:1.00
 NH1 D:ARG453 2.9 41.5 1.0
OH D:TYR369 3.2 60.7 1.0
NH2 D:ARG453 3.3 43.6 1.0
CD1 D:ILE361 3.4 56.9 1.0
CZ D:PHE467 3.5 36.5 1.0
CZ D:ARG453 3.6 41.9 1.0
CE2 D:PHE467 3.7 36.9 1.0
CE1 D:PHE467 3.9 34.8 1.0
CZ D:TYR369 4.0 59.3 1.0
CE1 D:TYR369 4.0 60.2 1.0
CD2 D:PHE467 4.3 37.8 1.0
NH1 D:ARG469 4.4 51.8 1.0
CG1 D:ILE361 4.4 58.0 1.0
CD1 D:PHE467 4.5 34.7 1.0
CG D:PHE467 4.7 35.6 1.0
NE D:ARG453 4.9 40.4 1.0
NH2 D:ARG469 5.0 52.5 1.0

Chlorine binding site 5 out of 14 in 1hkx

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Chlorine binding site 5 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1475

b:69.0
occ:1.00
 OH E:TYR369 3.3 58.3 1.0
CZ E:PHE467 3.3 35.3 1.0
NH1 E:ARG453 3.4 42.3 1.0
CD1 E:ILE361 3.4 55.7 1.0
NH2 E:ARG453 3.7 42.8 1.0
CE2 E:PHE467 3.7 34.9 1.0
CE1 E:PHE467 3.8 35.1 1.0
CZ E:ARG453 4.0 42.8 1.0
CZ E:TYR369 4.1 58.4 1.0
NH1 E:ARG469 4.2 52.3 1.0
CE1 E:TYR369 4.2 59.3 1.0
CG1 E:ILE361 4.4 58.2 1.0
CD2 E:PHE467 4.5 34.0 1.0
NH2 E:ARG469 4.5 51.8 1.0
CD1 E:PHE467 4.6 34.9 1.0
OE2 E:GLU381 4.8 55.8 1.0
CZ E:ARG469 4.8 52.3 1.0
CG E:PHE467 4.9 33.3 1.0

Chlorine binding site 6 out of 14 in 1hkx

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Chlorine binding site 6 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1475

b:53.2
occ:1.00
 CD1 F:ILE361 3.5 54.1 1.0
CZ F:PHE467 3.6 30.8 1.0
OH F:TYR369 3.7 54.5 1.0
NH2 F:ARG453 3.7 42.4 1.0
NH1 F:ARG469 3.8 50.7 1.0
NH1 F:ARG453 3.8 38.9 1.0
CE1 F:PHE467 3.9 30.6 1.0
NH2 F:ARG469 4.0 49.6 1.0
CE2 F:PHE467 4.2 31.9 1.0
CZ F:ARG453 4.3 39.7 1.0
CZ F:ARG469 4.3 51.2 1.0
CG1 F:ILE361 4.4 57.4 1.0
CZ F:TYR369 4.4 56.0 1.0
OE2 F:GLU381 4.4 52.7 1.0
CE1 F:TYR369 4.5 55.8 1.0
CD1 F:PHE467 4.8 30.6 1.0
O F:HOH2002 4.8 30.7 1.0
NH1 F:ARG433 4.9 44.2 1.0
CG2 F:ILE361 4.9 56.5 1.0
CD2 F:PHE467 4.9 31.0 1.0

Chlorine binding site 7 out of 14 in 1hkx

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Chlorine binding site 7 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1475

b:56.5
occ:1.00
 O G:HOH2006 3.1 35.7 1.0
NH1 G:ARG453 3.4 40.4 1.0
OH G:TYR369 3.4 54.8 1.0
CD1 G:ILE361 3.4 55.3 1.0
CZ G:PHE467 3.4 32.3 1.0
NH2 G:ARG453 3.5 40.3 1.0
CE1 G:PHE467 3.8 31.3 1.0
NH1 G:ARG469 3.9 49.3 1.0
CE2 G:PHE467 3.9 32.3 1.0
CZ G:ARG453 3.9 40.7 1.0
CZ G:TYR369 4.2 54.7 1.0
CE1 G:TYR369 4.2 55.1 1.0
NH2 G:ARG469 4.3 50.7 1.0
CG1 G:ILE361 4.3 56.5 1.0
CD1 G:PHE467 4.5 32.9 1.0
CZ G:ARG469 4.6 50.4 1.0
CD2 G:PHE467 4.6 31.5 1.0
OE2 G:GLU381 4.8 54.0 1.0
CG G:PHE467 4.9 32.5 1.0
O G:SER474 4.9 85.6 1.0

Chlorine binding site 8 out of 14 in 1hkx

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Chlorine binding site 8 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1475

b:66.2
occ:1.00
 NH1 H:ARG453 3.0 39.3 1.0
NH2 H:ARG453 3.0 41.0 1.0
CZ H:PHE467 3.4 33.9 1.0
CZ H:ARG453 3.4 40.9 1.0
CD1 H:ILE361 3.5 55.2 1.0
CE1 H:PHE467 3.7 32.2 1.0
OH H:TYR369 3.7 60.3 1.0
NH1 H:ARG469 3.7 51.6 1.0
CE2 H:PHE467 3.9 34.4 1.0
N H:VAL475 4.0 76.4 1.0
CD1 H:PHE467 4.3 33.4 1.0
NH2 H:ARG469 4.4 52.1 1.0
CZ H:TYR369 4.5 59.6 1.0
CZ H:ARG469 4.5 50.7 1.0
CD2 H:PHE467 4.5 35.2 1.0
CE1 H:TYR369 4.5 59.1 1.0
CG1 H:ILE361 4.5 57.4 1.0
CG H:PHE467 4.7 34.2 1.0
OE2 H:GLU381 4.7 50.5 1.0
NE H:ARG453 4.8 38.9 1.0
NH1 H:ARG433 4.9 43.0 1.0

Chlorine binding site 9 out of 14 in 1hkx

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Chlorine binding site 9 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1475

b:58.6
occ:1.00
 O I:HOH2002 2.5 38.9 1.0
N I:VAL475 2.9 81.7 1.0
NH1 I:ARG469 3.4 48.5 1.0
NH2 I:ARG469 3.5 52.5 1.0
CD1 I:ILE361 3.7 54.5 1.0
CZ I:PHE467 3.7 32.9 1.0
NH2 I:ARG453 3.8 42.2 1.0
CZ I:ARG469 3.9 51.2 1.0
C I:SER474 3.9 83.0 1.0
CE1 I:PHE467 3.9 32.1 1.0
NH1 I:ARG453 4.1 39.5 1.0
OH I:TYR369 4.2 56.1 1.0
OE2 I:GLU381 4.3 50.4 1.0
CZ I:ARG453 4.4 41.7 1.0
CE2 I:PHE467 4.4 34.1 1.0
CG1 I:ILE361 4.6 57.0 1.0
O I:SER474 4.7 84.2 1.0
CG2 I:ILE361 4.8 57.8 1.0
CD1 I:PHE467 4.8 31.3 1.0
CA I:SER474 4.9 82.6 1.0
NH1 I:ARG433 4.9 45.1 1.0
CZ I:TYR369 4.9 56.6 1.0

Chlorine binding site 10 out of 14 in 1hkx

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Chlorine binding site 10 out of 14 in the Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Calcium/Calmodulin-Dependent Protein Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl1475

b:52.2
occ:1.00
 NH2 J:ARG453 3.3 34.6 1.0
OH J:TYR369 3.4 53.9 1.0
NH1 J:ARG453 3.5 34.6 1.0
CZ J:PHE467 3.5 25.6 1.0
CD1 J:ILE361 3.5 39.9 1.0
CE1 J:PHE467 3.8 22.8 1.0
CZ J:ARG453 3.8 35.5 1.0
N J:VAL475 3.9 80.9 1.0
CE2 J:PHE467 4.1 27.3 1.0
CE1 J:TYR369 4.2 52.3 1.0
CZ J:TYR369 4.2 52.8 1.0
O J:SER474 4.2 80.3 1.0
NH1 J:ARG469 4.3 43.1 1.0
CG1 J:ILE361 4.4 43.3 1.0
NH2 J:ARG469 4.5 43.1 1.0
C J:SER474 4.5 80.0 1.0
CD1 J:PHE467 4.5 22.0 1.0
CD2 J:PHE467 4.8 23.3 1.0
CZ J:ARG469 4.9 42.9 1.0
CG J:PHE467 5.0 25.9 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: Fri Jul 19 22:32:06 2024

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