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

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

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:
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, PDB code: 1yrt was solved by Q.Guo, Y.Shen, Y.S.Lee, C.S.Gibbs, M.Mrksich, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.362, 79.362, 139.211, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 27

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 (pdb code 1yrt). 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, PDB code: 1yrt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1yrt

Go back to Calcium Binding Sites List in 1yrt
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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca800

b:21.4
occ:1.00
 OD2 B:ASP129 2.3 15.8 1.0
OD1 B:ASP133 2.3 17.4 1.0
O B:GLN135 2.3 16.7 1.0
OE1 B:GLU140 2.4 22.4 1.0
O B:HOH809 2.4 23.5 1.0
OD1 B:ASP131 2.5 18.3 1.0
OE2 B:GLU140 2.5 20.9 1.0
CD B:GLU140 2.8 20.3 1.0
CG B:ASP131 3.2 20.2 1.0
CG B:ASP133 3.3 18.9 1.0
CG B:ASP129 3.4 15.6 1.0
C B:GLN135 3.5 18.4 1.0
OD2 B:ASP131 3.5 18.3 1.0
OD2 B:ASP133 3.7 19.6 1.0
N B:ASP133 4.1 16.9 1.0
N B:GLN135 4.2 18.6 1.0
CA B:ASP129 4.2 19.1 1.0
O B:ASP133 4.2 22.1 1.0
OD1 B:ASP129 4.3 13.6 1.0
CB B:ASP129 4.3 15.5 1.0
CG B:GLU140 4.3 19.5 1.0
N B:ASN137 4.3 18.7 1.0
CA B:VAL136 4.4 16.7 1.0
N B:ASP131 4.4 18.4 1.0
N B:VAL136 4.4 17.1 1.0
N B:GLY132 4.4 17.9 1.0
CB B:ASP133 4.4 17.8 1.0
CA B:GLN135 4.5 19.8 1.0
CB B:ASP131 4.5 18.0 1.0
C B:ASP129 4.5 18.5 1.0
C B:ASP133 4.6 20.0 1.0
CG B:GLN135 4.7 25.3 1.0
CA B:ASP133 4.7 18.6 1.0
CA B:ASP131 4.8 18.3 1.0
N B:ILE130 4.8 18.2 1.0
C B:VAL136 4.8 17.9 1.0
C B:ASP131 4.8 18.2 1.0

Calcium binding site 2 out of 2 in 1yrt

Go back to Calcium Binding Sites List in 1yrt
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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca801

b:26.9
occ:1.00
 OD2 B:ASP93 2.3 17.7 1.0
O B:TYR99 2.3 21.6 1.0
OD1 B:ASP95 2.3 31.9 1.0
OE1 B:GLU104 2.5 21.3 1.0
OD1 B:ASN97 2.5 32.0 1.0
OE2 B:GLU104 2.5 23.3 1.0
CD B:GLU104 2.9 18.8 1.0
CG B:ASP95 3.2 31.5 1.0
CG B:ASN97 3.3 32.7 1.0
CG B:ASP93 3.4 17.4 1.0
C B:TYR99 3.5 23.2 1.0
ND2 B:ASN97 3.6 33.1 1.0
O B:ASN97 3.8 35.5 1.0
OD2 B:ASP95 3.8 30.6 1.0
O B:ASP95 4.1 31.5 1.0
CA B:ASP93 4.2 20.8 1.0
OD1 B:ASP93 4.2 14.2 1.0
CB B:ASP93 4.2 18.9 1.0
N B:ASN97 4.2 30.7 1.0
CB B:ASP95 4.3 30.2 1.0
N B:TYR99 4.3 25.8 1.0
CG B:GLU104 4.3 17.4 1.0
CA B:TYR99 4.4 25.2 1.0
N B:ILE100 4.4 22.2 1.0
CA B:ILE100 4.4 20.6 1.0
C B:ASP93 4.4 22.3 1.0
N B:ASP95 4.5 27.5 1.0
C B:ASP95 4.5 29.5 1.0
N B:SER101 4.6 20.3 1.0
C B:ASN97 4.6 33.0 1.0
CB B:ASN97 4.6 32.5 1.0
CA B:ASN97 4.8 32.8 1.0
CA B:ASP95 4.8 29.0 1.0
CB B:TYR99 4.8 26.7 1.0
N B:LYS94 4.8 23.8 1.0
O B:ASP93 4.8 21.2 1.0
O B:HOH820 4.9 26.2 1.0
C B:ILE100 5.0 20.8 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 08:10:34 2024

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