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Chlorine in PDB 3juh: Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity

Enzymatic activity of Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity

All present enzymatic activity of Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity, PDB code: 3juh was solved by K.Niefind, O.-G.Issinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.45 / 1.66
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 71.368, 71.368, 126.467, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 21.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity (pdb code 3juh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity, PDB code: 3juh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3juh

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Chlorine binding site 1 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl336

b:16.9
occ:1.00
 ND1 A:HIS148 2.9 14.5 1.0
O A:HOH590 3.2 15.1 1.0
O A:HOH492 3.2 13.8 1.0
N A:ALA315 3.4 16.3 1.0
CG2 A:VAL11 3.6 18.9 1.0
CG A:HIS148 3.7 14.7 1.0
CB A:HIS148 3.7 15.4 1.0
CE1 A:HIS148 4.0 15.2 1.0
CB A:ALA315 4.0 15.8 1.0
CB A:THR314 4.0 18.5 1.0
CE2 A:TYR12 4.0 16.4 1.0
CD2 A:TYR12 4.2 16.7 1.0
CA A:THR314 4.2 16.6 1.0
CA A:ALA315 4.2 14.9 1.0
C A:THR314 4.3 16.5 1.0
CB A:VAL11 4.6 20.4 1.0
CG2 A:THR314 4.7 19.0 1.0
CB A:TYR211 4.7 16.3 1.0
OD1 A:ASP145 4.8 17.8 1.0
CD2 A:HIS148 4.9 15.5 1.0
N A:ARG316 4.9 16.8 1.0
OG1 A:THR314 5.0 18.6 1.0

Chlorine binding site 2 out of 6 in 3juh

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Chlorine binding site 2 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl337

b:30.8
occ:1.00
 NH1 A:ARG155 3.1 22.0 1.0
NH2 A:ARG155 3.4 23.1 1.0
OE1 A:GLU180 3.5 25.3 1.0
CZ A:ARG155 3.7 21.8 1.0
N A:ASN189 3.8 28.6 1.0
CG A:GLU180 3.9 22.2 1.0
CD1 A:TYR188 3.9 22.5 1.0
O A:HOH398 4.0 13.2 1.0
CD A:GLU180 4.1 22.5 1.0
NH1 A:ARG80 4.2 27.8 1.0
CB A:ASN189 4.3 30.6 1.0
CB A:TYR188 4.3 24.1 1.0
CA A:TYR188 4.4 25.8 1.0
CG A:TYR188 4.6 23.5 1.0
C A:TYR188 4.6 27.6 1.0
CA A:ASN189 4.7 29.3 1.0
CE1 A:TYR188 4.9 21.6 1.0
CB A:GLU180 4.9 20.1 1.0
O A:ASN189 5.0 26.6 1.0

Chlorine binding site 3 out of 6 in 3juh

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Chlorine binding site 3 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


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 A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl338

b:27.1
occ:1.00
 N A:HIS160 3.3 21.4 1.0
CD A:PRO159 3.4 20.9 1.0
CB A:HIS160 3.5 24.4 1.0
N A:PRO159 3.9 19.8 1.0
CD A:LYS122 3.9 31.5 1.0
CB A:LYS158 3.9 18.3 1.0
CD A:LYS158 3.9 20.5 1.0
CA A:HIS160 3.9 21.7 1.0
CG A:LYS158 4.0 19.4 1.0
CG A:PRO159 4.1 21.8 1.0
C A:PRO159 4.2 21.3 1.0
CB A:PRO159 4.3 22.2 1.0
CA A:PRO159 4.3 20.6 1.0
NZ A:LYS122 4.4 34.2 1.0
C A:LYS158 4.4 18.9 1.0
CE2 A:PHE197 4.5 18.7 1.0
CE A:LYS158 4.6 23.5 1.0
CA A:LYS158 4.7 18.2 1.0
CE A:LYS122 4.8 34.2 1.0
O A:HOH470 4.8 23.9 1.0
CG A:LYS122 4.9 31.1 1.0
CG A:HIS160 4.9 24.9 1.0
CZ A:PHE197 4.9 17.7 1.0
O A:HOH429 5.0 20.5 1.0

Chlorine binding site 4 out of 6 in 3juh

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Chlorine binding site 4 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


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 A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl336

b:17.1
occ:1.00
 O B:HOH350 3.1 14.0 1.0
N B:ALA315 3.1 16.7 1.0
O B:HOH401 3.1 15.5 1.0
CD2 B:HIS148 3.2 14.0 1.0
CB B:ALA315 3.5 16.2 1.0
CG2 B:VAL11 3.8 17.4 1.0
CB B:THR314 3.9 18.3 1.0
CA B:ALA315 3.9 15.6 1.0
CG B:HIS148 3.9 14.3 1.0
CA B:THR314 3.9 17.7 1.0
CB B:HIS148 4.0 15.4 1.0
C B:THR314 4.0 16.7 1.0
NE2 B:HIS148 4.3 16.1 1.0
CE2 B:TYR12 4.3 16.3 1.0
CD2 B:TYR12 4.5 15.6 1.0
CB B:TYR211 4.7 16.6 1.0
OG1 B:THR314 4.8 18.7 1.0
N B:ARG316 4.8 16.7 1.0
OD1 B:ASP145 4.8 16.6 1.0
CG2 B:THR314 4.9 19.5 1.0
C B:ALA315 4.9 15.9 1.0

Chlorine binding site 5 out of 6 in 3juh

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Chlorine binding site 5 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


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 A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl337

b:26.1
occ:1.00
 N B:ASN189 3.2 25.8 1.0
NH1 B:ARG155 3.3 21.6 1.0
O B:HOH470 3.3 12.6 1.0
CB B:ASN189 3.5 26.8 1.0
CD1 B:TYR188 3.8 21.9 1.0
NH2 B:ARG155 3.9 21.1 1.0
CA B:ASN189 4.0 25.3 1.0
CZ B:ARG155 4.0 20.8 1.0
CA B:TYR188 4.0 23.7 1.0
C B:TYR188 4.1 23.8 1.0
CB B:TYR188 4.2 23.0 1.0
CG B:TYR188 4.5 23.1 1.0
CG B:GLU180 4.5 20.8 1.0
O B:ASN189 4.6 24.3 1.0
C B:ASN189 4.8 26.2 1.0
CE1 B:TYR188 4.8 22.0 1.0
CG B:ASN189 4.8 28.4 1.0
OH B:TYR209 4.9 21.1 1.0

Chlorine binding site 6 out of 6 in 3juh

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Chlorine binding site 6 out of 6 in the Crystal Structure of A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity


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 A Mutant of Human Protein Kinase CK2ALPHA with Altered Cosubstrate Specificity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl338

b:26.6
occ:1.00
 O B:HOH553 2.5 14.6 1.0
N B:ASP175 3.0 19.4 1.0
O B:HOH353 3.1 13.1 1.0
NZ B:LYS68 3.1 30.6 1.0
O2B B:ANP339 3.2 50.6 1.0
CA B:ASP175 3.5 19.4 1.0
CZ B:PHE113 3.5 26.3 1.0
CE2 B:PHE113 3.8 26.7 1.0
CB B:ILE174 3.8 18.4 1.0
CD B:LYS68 4.0 31.7 1.0
CE B:LYS68 4.0 31.7 1.0
C B:ILE174 4.1 17.9 1.0
CE1 B:PHE113 4.1 24.4 1.0
O1B B:ANP339 4.1 48.5 1.0
CA B:ILE174 4.2 17.6 1.0
PB B:ANP339 4.2 52.2 1.0
CB B:ASP175 4.4 20.8 1.0
CD1 B:ILE174 4.4 18.8 1.0
CG1 B:ILE174 4.5 18.5 1.0
CD2 B:PHE113 4.6 26.3 1.0
N B:TRP176 4.6 19.5 1.0
C B:ASP175 4.7 18.4 1.0
CG2 B:ILE95 4.7 22.0 1.0
CG2 B:ILE174 4.8 18.8 1.0
CD1 B:PHE113 4.8 24.9 1.0
N7 B:ANP339 4.8 44.7 1.0
OE1 B:GLU81 4.9 27.1 1.0

Reference:

C.W.Yde, I.Ermakova, O.-G.Issinger, K.Niefind. Inclining the Purine Base Binding Plane in Protein Kinase CK2 By Exchanging the Flanking Side-Chains Generates A Preference For Atp As A Cosubstrate J.Mol.Biol. V. 347 399 2005.
ISSN: ISSN 0022-2836
PubMed: 15740749
DOI: 10.1016/J.JMB.2005.01.003
Page generated: Sat Jul 20 22:13:20 2024

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