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Zinc in PDB 1rqf: Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide

Enzymatic activity of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide

All present enzymatic activity of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide:
2.7.1.37;

Protein crystallography data

The structure of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide, PDB code: 1rqf was solved by L.Bertrand, M.F.Sayed, X.-Y.Pei, E.Parisini, V.Dhanaraj, V.M.Bolanos-Garcia, J.E.Allende, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 11.97 / 2.89
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 145.422, 170.626, 74.546, 90.00, 90.00, 90.00
R / Rfree (%) 23.8 / 26.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide (pdb code 1rqf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide, PDB code: 1rqf:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 1rqf

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Zinc binding site 1 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn179

b:99.1
occ:1.00
 SG A:CYS114 2.0 45.3 1.0
SG A:CYS140 2.1 51.8 1.0
SG A:CYS109 2.1 57.8 1.0
SG A:CYS137 2.3 58.7 1.0
CB A:CYS137 3.0 58.0 1.0
CB A:CYS114 3.2 43.6 1.0
CB A:CYS140 3.2 52.4 1.0
CB A:CYS109 3.2 57.4 1.0
N A:CYS140 3.7 59.5 1.0
CA A:CYS140 4.1 59.3 1.0
CD A:ARG111 4.2 66.5 1.0
OH A:TYR144 4.3 50.1 1.0
CB A:ARG111 4.3 67.4 1.0
CE1 A:TYR144 4.4 44.9 1.0
CA A:CYS137 4.5 45.2 1.0
CG A:ARG111 4.5 65.7 1.0
CA A:CYS114 4.6 44.5 1.0
CA A:CYS109 4.6 55.9 1.0
CB A:LYS139 4.7 53.6 1.0
NH1 A:ARG111 4.7 75.3 1.0
CZ A:TYR144 4.7 45.7 1.0
C A:LYS139 4.8 58.7 1.0
C A:CYS140 4.8 59.0 1.0
C A:CYS137 4.9 45.9 1.0
O A:CYS137 4.9 46.3 1.0

Zinc binding site 2 out of 8 in 1rqf

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Zinc binding site 2 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn179

b:99.2
occ:1.00
 SG B:CYS114 2.0 43.8 1.0
SG B:CYS137 2.1 64.2 1.0
SG B:CYS140 2.2 63.1 1.0
SG B:CYS109 2.2 45.5 1.0
CB B:CYS137 2.8 64.2 1.0
CB B:CYS140 3.2 58.5 1.0
CB B:CYS109 3.3 47.9 1.0
CB B:CYS114 3.3 44.8 1.0
N B:CYS140 3.5 53.1 1.0
CA B:CYS140 3.9 53.2 1.0
CA B:CYS137 4.2 42.0 1.0
OH B:TYR144 4.4 50.7 1.0
CD B:ARG111 4.5 54.4 1.0
CB B:LYS139 4.5 67.5 1.0
CE1 B:TYR144 4.5 49.2 1.0
CB B:ARG111 4.6 54.3 1.0
C B:LYS139 4.6 59.8 1.0
C B:CYS137 4.6 42.4 1.0
O B:CYS137 4.6 42.7 1.0
CA B:CYS109 4.6 49.0 1.0
CA B:CYS114 4.7 55.5 1.0
C B:CYS140 4.7 52.9 1.0
N B:LYS139 4.8 59.6 1.0
CG B:ARG111 4.8 55.1 1.0
CZ B:TYR144 4.8 46.6 1.0
CA B:LYS139 4.8 59.9 1.0
N B:MET141 4.9 56.5 1.0
NH1 B:ARG111 4.9 50.8 1.0

Zinc binding site 3 out of 8 in 1rqf

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Zinc binding site 3 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn201

b:94.5
occ:1.00
 SG D:CYS140 2.1 67.2 1.0
SG D:CYS114 2.1 47.8 1.0
SG D:CYS137 2.2 58.0 1.0
SG D:CYS109 2.2 59.1 1.0
CB D:CYS137 2.9 63.1 1.0
CB D:CYS140 3.2 63.3 1.0
CB D:CYS109 3.3 62.8 1.0
CB D:CYS114 3.3 46.7 1.0
N D:CYS140 3.6 61.9 1.0
CA D:CYS140 4.0 62.0 1.0
CD D:ARG111 4.3 37.6 1.0
OH D:TYR144 4.3 47.2 1.0
CA D:CYS137 4.3 48.0 1.0
CE1 D:TYR144 4.4 51.2 1.0
CB D:ARG111 4.4 47.5 1.0
CG D:ARG111 4.6 44.1 1.0
CA D:CYS109 4.6 51.4 1.0
CB D:LYS139 4.6 48.8 1.0
CA D:CYS114 4.7 72.8 1.0
CZ D:TYR144 4.7 47.8 1.0
C D:LYS139 4.7 57.0 1.0
C D:CYS137 4.7 48.6 1.0
C D:CYS140 4.7 62.0 1.0
O D:CYS137 4.7 49.1 1.0
NH1 D:ARG111 4.8 30.1 1.0
N D:LYS139 4.9 56.9 1.0
N D:MET141 4.9 62.0 1.0

Zinc binding site 4 out of 8 in 1rqf

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Zinc binding site 4 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn202

b:0.8
occ:1.00
 SG E:CYS114 2.1 67.0 1.0
SG E:CYS140 2.1 55.1 1.0
SG E:CYS109 2.2 62.6 1.0
SG E:CYS137 2.2 62.2 1.0
CB E:CYS137 2.9 72.4 1.0
CB E:CYS140 3.2 54.5 1.0
CB E:CYS114 3.2 63.3 1.0
CB E:CYS109 3.3 62.4 1.0
N E:CYS140 3.6 50.4 1.0
CA E:CYS140 4.0 50.4 1.0
CD E:ARG111 4.2 48.0 1.0
OH E:TYR144 4.4 43.6 1.0
CA E:CYS137 4.4 46.9 1.0
CB E:ARG111 4.4 54.6 1.0
CE1 E:TYR144 4.5 45.5 1.0
CG E:ARG111 4.5 49.6 1.0
CB E:LYS139 4.6 46.1 0.5
CA E:CYS114 4.6 69.0 1.0
CA E:CYS109 4.6 55.3 1.0
C E:LYS139 4.7 51.1 1.0
CZ E:TYR144 4.8 43.1 1.0
C E:CYS140 4.8 50.1 1.0
NH1 E:ARG111 4.8 52.0 1.0
C E:CYS137 4.8 47.6 1.0
O E:CYS137 4.8 47.3 1.0
N E:LYS139 4.9 50.5 1.0
N E:MET141 5.0 64.2 1.0
CA E:LYS139 5.0 50.9 1.0

Zinc binding site 5 out of 8 in 1rqf

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Zinc binding site 5 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Zn301

b:0.3
occ:1.00
 SG G:CYS140 2.1 50.5 1.0
SG G:CYS114 2.1 40.5 1.0
SG G:CYS109 2.1 77.7 1.0
SG G:CYS137 2.2 69.7 1.0
CB G:CYS137 2.8 69.8 1.0
CB G:CYS109 3.2 76.8 1.0
CB G:CYS114 3.3 45.9 1.0
CB G:CYS140 3.3 50.7 1.0
N G:CYS140 3.7 53.8 1.0
CA G:CYS140 4.1 53.7 1.0
CA G:CYS137 4.3 57.8 1.0
OH G:TYR144 4.3 71.3 1.0
CE1 G:TYR144 4.3 63.1 1.0
CD G:ARG111 4.4 77.7 1.0
CB G:ARG111 4.5 72.8 1.0
CA G:CYS109 4.5 61.6 1.0
CG G:ARG111 4.6 74.3 1.0
CZ G:TYR144 4.6 64.8 1.0
CA G:CYS114 4.7 48.5 1.0
C G:CYS137 4.7 58.4 1.0
CB G:LYS139 4.7 61.1 1.0
O G:CYS137 4.8 58.6 1.0
C G:LYS139 4.9 68.7 1.0
C G:CYS140 4.9 53.5 1.0
NH1 G:ARG111 4.9 80.7 1.0
N G:LYS139 5.0 68.6 1.0

Zinc binding site 6 out of 8 in 1rqf

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Zinc binding site 6 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn302

b:0.9
occ:1.00
 SG H:CYS114 2.0 56.0 1.0
SG H:CYS137 2.2 66.2 1.0
SG H:CYS140 2.2 59.0 1.0
SG H:CYS109 2.2 74.6 1.0
CB H:CYS137 2.8 69.5 1.0
CB H:CYS109 3.2 75.8 1.0
CB H:CYS114 3.2 57.5 1.0
CB H:CYS140 3.2 60.5 1.0
N H:CYS140 3.6 57.8 1.0
CA H:CYS140 4.0 57.3 1.0
CA H:CYS137 4.3 53.1 1.0
CD H:ARG111 4.4 61.7 1.0
OH H:TYR144 4.4 72.2 1.0
CB H:ARG111 4.5 64.8 1.0
CE1 H:TYR144 4.5 65.3 1.0
CB H:LYS139 4.6 82.4 1.0
CA H:CYS109 4.6 69.7 1.0
CA H:CYS114 4.6 74.8 1.0
CG H:ARG111 4.6 64.6 1.0
C H:CYS137 4.7 53.7 1.0
C H:LYS139 4.7 55.8 1.0
CZ H:TYR144 4.8 65.9 1.0
O H:CYS137 4.8 54.0 1.0
C H:CYS140 4.8 57.2 1.0
NH1 H:ARG111 4.8 70.0 1.0
N H:LYS139 4.9 55.8 1.0
N H:MET141 5.0 46.6 1.0
CA H:LYS139 5.0 55.8 1.0

Zinc binding site 7 out of 8 in 1rqf

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Zinc binding site 7 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn401

b:0.7
occ:1.00
 SG J:CYS114 2.0 58.8 1.0
SG J:CYS109 2.1 59.4 1.0
SG J:CYS140 2.2 71.9 1.0
SG J:CYS137 2.2 77.8 1.0
CB J:CYS137 2.8 76.0 1.0
CB J:CYS109 3.2 65.5 1.0
CB J:CYS114 3.2 63.4 1.0
CB J:CYS140 3.3 71.6 1.0
N J:CYS140 3.7 58.7 1.0
CA J:CYS140 4.1 58.7 1.0
CA J:CYS137 4.3 51.1 1.0
OH J:TYR144 4.4 45.6 1.0
CD J:ARG111 4.4 60.9 1.0
CE1 J:TYR144 4.4 46.1 1.0
CB J:ARG111 4.4 65.5 1.0
CA J:CYS109 4.5 62.7 1.0
CG J:ARG111 4.6 63.4 1.0
CB J:LYS139 4.6 79.5 1.0
CA J:CYS114 4.6 77.9 1.0
CZ J:TYR144 4.7 46.0 1.0
C J:CYS137 4.7 51.7 1.0
C J:LYS139 4.8 75.5 1.0
O J:CYS137 4.8 51.8 1.0
C J:CYS140 4.8 58.6 1.0
NH1 J:ARG111 4.9 62.8 1.0
N J:LYS139 4.9 75.3 1.0

Zinc binding site 8 out of 8 in 1rqf

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Zinc binding site 8 out of 8 in the Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of CK2 Beta Subunit Crystallized in the Presence of A P21WAF1 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Zn402

b:99.6
occ:1.00
 SG K:CYS114 2.0 51.0 1.0
SG K:CYS140 2.1 59.9 1.0
SG K:CYS109 2.1 57.8 1.0
SG K:CYS137 2.2 63.9 1.0
CB K:CYS137 2.9 64.8 1.0
CB K:CYS140 3.2 62.9 1.0
CB K:CYS109 3.2 58.5 1.0
CB K:CYS114 3.3 50.9 1.0
N K:CYS140 3.6 53.3 1.0
CA K:CYS140 4.0 53.0 1.0
OH K:TYR144 4.3 53.3 1.0
CD K:ARG111 4.3 61.0 1.0
CA K:CYS137 4.3 53.4 1.0
CE1 K:TYR144 4.4 48.8 1.0
CB K:ARG111 4.4 62.5 1.0
CG K:ARG111 4.6 62.3 1.0
CA K:CYS109 4.6 60.7 1.0
CA K:CYS114 4.7 59.9 1.0
CB K:LYS139 4.7 59.6 1.0
CZ K:TYR144 4.7 48.2 1.0
C K:LYS139 4.8 73.0 1.0
C K:CYS137 4.8 54.2 1.0
C K:CYS140 4.8 53.0 1.0
O K:CYS137 4.8 54.5 1.0
NH1 K:ARG111 4.8 65.1 1.0
N K:LYS139 5.0 73.0 1.0
N K:MET141 5.0 55.5 1.0

Reference:

L.Bertrand, M.F.Sayed, X.Y.Pei, E.Parisini, V.Dhanaraj, V.M.Bolanos-Garcia, J.E.Allende, T.L.Blundell. Structure of the Regulatory Subunit of CK2 in the Presence of A P21WAF1 Peptide Demonstrates Flexibility of the Acidic Loop. Acta Crystallogr.,Sect.D V. 60 1698 2004.
ISSN: ISSN 0907-4449
PubMed: 15388915
DOI: 10.1107/S0907444904016750
Page generated: Wed Oct 16 18:39:35 2024

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