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Chlorine in PDB 3fwq: Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit

Enzymatic activity of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit

All present enzymatic activity of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit:
2.7.11.1;

Protein crystallography data

The structure of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit, PDB code: 3fwq was solved by K.Niefind, J.Raaf, O.G.Issinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.30 / 2.30
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 71.324, 71.324, 125.681, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 23.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit (pdb code 3fwq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit, PDB code: 3fwq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3fwq

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Chlorine binding site 1 out of 5 in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl339

b:37.9
occ:1.00
 ND1 A:HIS148 2.9 30.4 1.0
O A:HOH399 2.9 23.4 1.0
N A:ALA315 3.3 35.9 1.0
CG A:HIS148 3.7 32.1 1.0
CB A:ALA315 3.7 35.3 1.0
CB A:HIS148 3.8 33.8 1.0
CE2 A:TYR12 3.8 41.9 1.0
CE1 A:HIS148 3.9 27.4 1.0
CG2 A:VAL11 3.9 41.7 1.0
CB A:THR314 4.1 36.7 1.0
CD2 A:TYR12 4.1 41.1 1.0
CA A:ALA315 4.1 36.6 1.0
CA A:THR314 4.2 36.5 1.0
C A:THR314 4.2 36.2 1.0
OD1 A:ASP145 4.6 33.5 1.0
CB A:TYR211 4.6 39.1 1.0
CD2 A:HIS148 4.9 32.2 1.0
N A:ARG316 4.9 38.7 1.0
NE2 A:HIS148 4.9 30.6 1.0
O A:LEU144 4.9 37.8 1.0
OG1 A:THR314 5.0 39.0 1.0
CZ A:TYR12 5.0 43.9 1.0

Chlorine binding site 2 out of 5 in 3fwq

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Chlorine binding site 2 out of 5 in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl340

b:48.5
occ:1.00
 N A:ASP175 2.9 40.7 1.0
O A:HOH343 2.9 38.1 1.0
CA A:ASP175 3.5 43.4 1.0
NZ A:LYS68 3.6 49.1 1.0
CB A:ILE174 3.6 35.6 1.0
OD1 A:ASP175 3.6 56.7 1.0
O A:HOH454 3.7 41.9 1.0
C A:ILE174 3.9 37.9 1.0
CA A:ILE174 4.1 36.3 1.0
CZ A:PHE113 4.2 35.1 1.0
CE2 A:PHE113 4.2 35.9 1.0
CG1 A:ILE174 4.4 36.1 1.0
CD1 A:ILE174 4.4 40.6 1.0
CD1 A:ILE95 4.4 42.5 1.0
N A:TRP176 4.4 40.0 1.0
CE A:LYS68 4.5 50.0 1.0
CG2 A:ILE174 4.5 31.3 1.0
CG A:ASP175 4.5 54.3 1.0
CB A:ASP175 4.6 47.9 1.0
C A:ASP175 4.6 40.0 1.0
CD A:LYS68 4.6 49.6 1.0
CG2 A:ILE95 4.6 37.4 1.0
O A:HOH354 4.9 37.8 1.0
CE1 A:PHE113 4.9 33.8 1.0
CD1 A:TRP176 4.9 35.6 1.0

Chlorine binding site 3 out of 5 in 3fwq

Go back to Chlorine Binding Sites List in 3fwq
Chlorine binding site 3 out of 5 in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl341

b:42.7
occ:1.00
 N A:GLY185 2.9 46.4 1.0
OH A:TYR182 2.9 39.8 1.0
O A:SER7 3.0 54.1 1.0
CE1 A:TYR182 3.5 38.6 1.0
CG A:MET208 3.5 46.9 1.0
CZ A:TYR182 3.6 39.1 1.0
CA A:PRO184 3.7 44.8 1.0
C A:PRO184 3.8 45.6 1.0
CA A:GLY185 3.8 46.4 1.0
C A:SER7 4.0 56.3 1.0
O A:HIS183 4.0 45.8 1.0
SD A:MET208 4.1 49.4 1.0
O A:MET208 4.1 42.8 1.0
CD A:ARG8 4.2 57.8 1.0
N A:GLN186 4.2 47.7 1.0
CA A:ARG8 4.3 54.0 1.0
NH1 A:ARG8 4.4 61.1 1.0
C A:GLY185 4.5 49.1 1.0
O A:TYR209 4.5 45.3 1.0
N A:PRO184 4.6 45.3 1.0
N A:ARG8 4.6 55.1 1.0
C A:HIS183 4.7 45.6 1.0
O A:GLN186 4.7 48.0 1.0
CD1 A:TYR182 4.8 39.5 1.0
CB A:PRO184 4.8 46.3 1.0
CB A:MET208 4.8 46.0 1.0
C A:MET208 4.8 44.8 1.0
CE2 A:TYR182 4.9 39.2 1.0
NE A:ARG8 4.9 59.8 1.0
O A:PRO184 5.0 40.9 1.0
N A:ALA9 5.0 49.5 1.0

Chlorine binding site 4 out of 5 in 3fwq

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Chlorine binding site 4 out of 5 in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl337

b:34.6
occ:1.00
 ND1 B:HIS148 2.7 34.6 1.0
O B:HOH385 3.2 24.0 1.0
N B:ALA315 3.4 38.7 1.0
CG2 B:VAL11 3.6 35.9 1.0
CG B:HIS148 3.7 33.6 1.0
CE1 B:HIS148 3.7 31.1 1.0
CB B:ALA315 3.8 38.9 1.0
CB B:HIS148 3.8 35.1 1.0
CB B:THR314 4.0 39.7 1.0
CA B:THR314 4.1 39.3 1.0
CA B:ALA315 4.2 39.2 1.0
C B:THR314 4.2 38.3 1.0
CE2 B:TYR12 4.5 35.4 1.0
CG2 B:THR314 4.6 39.9 1.0
CD2 B:TYR12 4.6 36.5 1.0
CB B:TYR211 4.7 39.6 1.0
CB B:VAL11 4.7 38.1 1.0
SD B:MET215 4.8 38.5 1.0
NE2 B:HIS148 4.8 32.5 1.0
CD2 B:HIS148 4.8 34.3 1.0

Chlorine binding site 5 out of 5 in 3fwq

Go back to Chlorine Binding Sites List in 3fwq
Chlorine binding site 5 out of 5 in the Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Inactive Conformation of Human Protein Kinase CK2 Catalytic Subunit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl338

b:53.8
occ:1.00
 N B:HIS160 3.5 38.8 1.0
NZ B:LYS122 3.6 44.1 1.0
CD B:PRO159 3.6 41.4 1.0
CD B:LYS122 3.6 43.0 1.0
CB B:HIS160 3.7 38.2 1.0
CB B:LYS158 3.8 41.3 1.0
N B:PRO159 3.9 42.4 1.0
CD B:LYS158 3.9 38.1 1.0
CG B:LYS158 4.0 38.6 1.0
CE B:LYS122 4.0 42.5 1.0
CB B:PRO159 4.1 43.3 1.0
CE2 B:PHE197 4.1 35.6 1.0
CG B:PRO159 4.1 41.9 1.0
CA B:HIS160 4.2 38.1 1.0
CZ B:PHE197 4.4 33.7 1.0
CA B:PRO159 4.4 42.2 1.0
C B:PRO159 4.4 38.9 1.0
CG B:LYS122 4.4 46.3 1.0
C B:LYS158 4.5 42.0 1.0
CA B:LYS158 4.7 41.6 1.0
CE B:LYS158 4.9 39.2 1.0
CG B:HIS160 5.0 40.5 1.0

Reference:

J.Raaf, O.G.Issinger, K.Niefind. First Inactive Conformation of CK2 Alpha, the Catalytic Subunit of Protein Kinase CK2 J.Mol.Biol. V. 386 1212 2009.
ISSN: ISSN 0022-2836
PubMed: 19361447
DOI: 10.1016/J.JMB.2009.01.033
Page generated: Sat Jul 20 19:42:30 2024

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