Atomistry » Chlorine » PDB 3jq0-3k1s » 3juh
Atomistry »
  Chlorine »
    PDB 3jq0-3k1s »
      3juh »

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

Go back to Chlorine Binding Sites List in 3juh
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

Go back to Chlorine Binding Sites List in 3juh
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

Go back to Chlorine Binding Sites List in 3juh
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

Go back to Chlorine Binding Sites List in 3juh
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

Go back to Chlorine Binding Sites List in 3juh
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

Go back to Chlorine Binding Sites List in 3juh
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: Fri Jul 11 06:44:32 2025

Last articles

Mg in 1KK3
Mg in 1KK2
Mg in 1KJY
Mg in 1KK1
Mg in 1KJJ
Mg in 1KJQ
Mg in 1KJI
Mg in 1KJ9
Mg in 1KJ8
Mg in 1KIZ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy