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Calcium in PDB 1yru: Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride

Enzymatic activity of Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride

All present enzymatic activity of Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride:
4.6.1.1;

Protein crystallography data

The structure of Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride, PDB code: 1yru was solved by Q.Guo, Y.Shen, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.441, 79.441, 139.181, 90.00, 90.00, 90.00
R / Rfree (%) 23.1 / 30.8

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride (pdb code 1yru). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride, PDB code: 1yru:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1yru

Go back to Calcium Binding Sites List in 1yru
Calcium binding site 1 out of 2 in the Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca800

b:31.6
occ:1.00
 OD1 B:ASP133 2.0 27.9 1.0
O B:GLN135 2.3 26.7 1.0
OD2 B:ASP129 2.3 24.8 1.0
OE2 B:GLU140 2.5 27.8 1.0
OD1 B:ASP131 2.5 31.0 1.0
OE1 B:GLU140 2.7 26.3 1.0
CD B:GLU140 2.9 26.5 1.0
CG B:ASP133 3.0 28.7 1.0
CG B:ASP131 3.4 30.4 1.0
C B:GLN135 3.5 26.3 1.0
CG B:ASP129 3.5 24.6 1.0
OD2 B:ASP133 3.5 31.8 1.0
OD2 B:ASP131 3.6 31.6 1.0
O B:ASP133 4.0 30.9 1.0
N B:ASP133 4.2 23.7 1.0
N B:GLN135 4.2 26.1 1.0
CB B:ASP133 4.3 27.1 1.0
OD1 B:ASP129 4.3 25.0 1.0
N B:ASN137 4.3 24.1 1.0
CA B:VAL136 4.3 24.7 1.0
N B:VAL136 4.3 25.1 1.0
CA B:GLN135 4.4 26.5 1.0
CG B:GLU140 4.4 24.8 1.0
CB B:ASP129 4.4 24.8 1.0
CA B:ASP129 4.5 25.3 1.0
C B:ASP133 4.6 27.6 1.0
OD1 B:ASN137 4.6 20.7 1.0
CA B:ASP133 4.7 26.2 1.0
N B:ASP131 4.7 25.0 1.0
N B:GLY132 4.7 24.3 1.0
CB B:ASP131 4.7 27.8 1.0
CG B:ASN137 4.8 23.7 1.0
C B:VAL136 4.8 24.4 1.0
C B:ASP129 4.8 24.9 1.0
CG B:GLN135 4.9 28.9 1.0
N B:ILE130 5.0 23.0 1.0
CB B:ASN137 5.0 23.4 1.0

Calcium binding site 2 out of 2 in 1yru

Go back to Calcium Binding Sites List in 1yru
Calcium binding site 2 out of 2 in the Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of the Adenylyl Cyclaes Catalytic Domain of Adenylyl Cyclase Toxin of Bordetella Pertussis in Presence of C-Terminal Calmodulin and 1MM Calcium Chloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca801

b:39.9
occ:1.00
 OD1 B:ASN97 2.1 42.9 1.0
OD1 B:ASP95 2.3 46.0 1.0
O B:TYR99 2.3 23.9 1.0
OD2 B:ASP93 2.5 24.9 1.0
OE2 B:GLU104 2.5 37.9 1.0
OE1 B:GLU104 2.6 38.2 1.0
CD B:GLU104 2.9 36.7 1.0
O B:HOH42 2.9 31.5 1.0
CG B:ASN97 3.0 42.1 1.0
ND2 B:ASN97 3.3 43.0 1.0
CG B:ASP95 3.4 44.1 1.0
C B:TYR99 3.5 24.8 1.0
CG B:ASP93 3.6 25.5 1.0
OD2 B:ASP95 3.8 44.6 1.0
O B:ASN97 3.8 39.8 1.0
N B:TYR99 4.1 27.1 1.0
CA B:TYR99 4.3 26.8 1.0
CB B:ASN97 4.4 40.5 1.0
C B:ASN97 4.4 37.8 1.0
CG B:GLU104 4.4 32.4 1.0
CA B:ASP93 4.4 29.9 1.0
OD1 B:ASP93 4.4 25.2 1.0
CB B:ASP93 4.5 28.4 1.0
N B:ASP95 4.5 38.3 1.0
N B:ILE100 4.5 22.8 1.0
CA B:ILE100 4.5 23.1 1.0
CB B:ASP95 4.6 41.4 1.0
N B:SER101 4.6 23.8 1.0
C B:ASP93 4.6 31.7 1.0
CA B:ASN97 4.7 39.0 1.0
CB B:TYR99 4.7 29.1 1.0
N B:ASN97 4.8 40.4 1.0
O B:ASP95 4.8 39.9 1.0
C B:ASP95 4.8 39.5 1.0
CA B:ASP95 4.8 39.7 1.0
O B:ASP93 5.0 32.5 1.0
OG B:SER101 5.0 26.7 1.0
N B:LYS94 5.0 33.3 1.0

Reference:

Q.Guo, Y.Shen, Y.S.Lee, C.S.Gibbs, M.Mrksich, W.J.Tang. Structural Basis For the Interaction of Bordetella Pertussis Adenylyl Cyclase Toxin with Calmodulin Embo J. V. 24 3190 2005.
ISSN: ISSN 0261-4189
PubMed: 16138079
DOI: 10.1038/SJ.EMBOJ.7600800
Page generated: Fri Jul 12 08:10:39 2024

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