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Zinc in PDB 3eed: Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193)

Protein crystallography data

The structure of Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193), PDB code: 3eed 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) 29.12 / 2.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 116.463, 116.463, 76.088, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193) (pdb code 3eed). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193), PDB code: 3eed:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3eed

Go back to Zinc Binding Sites List in 3eed
Zinc binding site 1 out of 2 in the Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn194

b:48.3
occ:1.00
SG A:CYS114 2.3 48.3 1.0
SG A:CYS137 2.3 50.1 1.0
SG A:CYS140 2.3 46.6 1.0
SG A:CYS109 2.3 44.2 1.0
CB A:CYS137 3.1 49.0 1.0
CB A:CYS140 3.2 44.5 1.0
CB A:CYS114 3.3 48.1 1.0
CB A:CYS109 3.3 42.3 1.0
N A:CYS140 3.6 52.1 1.0
CA A:CYS140 4.0 45.8 1.0
OH A:TYR144 4.0 46.2 1.0
CB A:ARG111 4.2 45.5 1.0
CD A:ARG111 4.3 48.5 1.0
CE1 A:TYR144 4.4 44.3 1.0
NH1 A:ARG111 4.5 60.8 1.0
CB A:LYS139 4.6 58.2 1.0
CZ A:TYR144 4.6 44.7 1.0
CA A:CYS137 4.6 49.4 1.0
C A:LYS139 4.6 54.9 1.0
CA A:CYS114 4.7 49.3 1.0
CA A:CYS109 4.7 38.8 1.0
CG A:ARG111 4.9 48.6 1.0
C A:CYS140 4.9 49.1 1.0
C A:CYS137 5.0 50.5 1.0
CA A:LYS139 5.0 55.8 1.0
N A:LYS139 5.0 54.4 1.0

Zinc binding site 2 out of 2 in 3eed

Go back to Zinc Binding Sites List in 3eed
Zinc binding site 2 out of 2 in the Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Protein Kinase CK2 Regulatory Subunit (CK2BETA; Mutant 1-193) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn194

b:45.8
occ:1.00
SG B:CYS114 2.3 44.6 1.0
SG B:CYS137 2.3 46.9 1.0
SG B:CYS140 2.3 44.4 1.0
SG B:CYS109 2.3 43.5 1.0
CB B:CYS137 3.1 45.7 1.0
CB B:CYS140 3.2 41.6 1.0
CB B:CYS114 3.3 44.8 1.0
CB B:CYS109 3.3 40.2 1.0
N B:CYS140 3.6 47.8 1.0
CA B:CYS140 4.0 41.8 1.0
OH B:TYR144 4.1 45.5 1.0
CB B:ARG111 4.2 45.6 1.0
CD B:ARG111 4.3 47.9 1.0
CE1 B:TYR144 4.4 44.3 1.0
NH1 B:ARG111 4.5 58.4 1.0
CB B:LYS139 4.5 51.7 1.0
CA B:CYS137 4.6 45.8 1.0
CZ B:TYR144 4.6 45.4 1.0
C B:LYS139 4.7 48.7 1.0
CA B:CYS114 4.7 45.3 1.0
CA B:CYS109 4.7 37.8 1.0
C B:CYS137 4.9 46.3 1.0
N B:LYS139 4.9 47.8 1.0
CA B:LYS139 4.9 48.9 1.0
CG B:ARG111 5.0 48.7 1.0
C B:CYS140 5.0 45.2 1.0

Reference:

J.Raaf, E.Brunstein, O.-G.Issinger, K.Niefind. The Interaction of CK2{Alpha} and CK2{Beta}, the Subunits of Protein Kinase CK2, Requires CK2{Beta} in A Preformed Conformation and Is Enthalpically Driven Protein Sci. V. 17 2180 2008.
ISSN: ISSN 0961-8368
PubMed: 18824508
DOI: 10.1110/PS.037770.108
Page generated: Wed Dec 16 04:15:46 2020

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