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Calcium in PDB 2a7g: On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength

Enzymatic activity of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength

All present enzymatic activity of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength:
2.2.1.2;

Protein crystallography data

The structure of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7g was solved by C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.85
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.990, 92.990, 130.210, 90.00, 90.00, 120.00
R / Rfree (%) 16.1 / 18.9

Other elements in 2a7g:

The structure of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength (pdb code 2a7g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7g:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 1 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca402

b:19.7
occ:1.00
 O E:HOH449 2.2 25.1 1.0
O E:ASN183 2.4 23.4 1.0
OE2 E:GLU190 2.4 22.5 1.0
O E:HOH458 2.4 28.6 1.0
OD2 E:ASP185 2.4 24.2 1.0
OE2 E:GLU177 2.5 19.1 1.0
CG E:ASP185 3.3 19.9 1.0
CD E:GLU177 3.3 21.1 1.0
CD E:GLU190 3.4 21.9 1.0
C E:ASN183 3.5 24.2 1.0
OD1 E:ASP185 3.6 18.8 1.0
CA E:CA404 3.8 15.1 1.0
OE1 E:GLU177 3.8 22.5 1.0
CG E:GLU190 3.9 20.5 1.0
OD2 E:ASP191 4.1 33.2 1.0
CA E:PRO184 4.2 21.5 1.0
N E:ASP185 4.2 19.8 1.0
CB E:ASN183 4.2 26.0 1.0
OD1 E:ASP191 4.3 30.4 1.0
C E:PRO184 4.3 21.3 1.0
CG E:GLU177 4.3 18.6 1.0
OE1 E:GLU190 4.3 21.6 1.0
N E:PRO184 4.4 23.5 1.0
CB E:ASP185 4.5 20.1 1.0
O E:LYS182 4.5 30.3 1.0
CG E:ASP191 4.5 27.8 1.0
CA E:ASN183 4.6 26.3 1.0
O E:PRO184 5.0 20.7 1.0

Calcium binding site 2 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 2 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca403

b:15.3
occ:1.00
 O E:HOH443 2.3 15.0 1.0
O E:GLN61 2.3 16.4 1.0
OD1 E:ASP57 2.4 19.3 1.0
O E:HOH476 2.4 18.1 1.0
OD1 E:ASP59 2.5 19.4 1.0
O E:HOH461 2.5 15.3 1.0
OD2 E:ASP57 2.6 20.6 1.0
CG E:ASP57 2.8 19.0 1.0
CG E:ASP59 3.5 25.1 1.0
C E:GLN61 3.5 16.1 1.0
O E:HOH441 3.9 19.7 1.0
OD2 E:ASP59 3.9 22.4 1.0
N E:GLN61 4.0 16.6 1.0
CA E:GLN61 4.2 16.2 1.0
CB E:ASP57 4.3 18.2 1.0
CB E:GLN61 4.4 16.5 1.0
N E:ASP59 4.4 18.1 1.0
N E:PHE62 4.5 15.9 1.0
O E:HOH535 4.5 28.6 1.0
O E:HOH421 4.6 13.2 1.0
OD2 E:ASP67 4.6 21.3 1.0
CB E:ASP59 4.7 20.2 1.0
CA E:PHE62 4.7 15.8 1.0
N E:ASN60 4.7 17.1 1.0
N E:ALA58 4.8 17.5 1.0
CA E:ASP59 4.8 18.7 1.0
C E:ASP59 5.0 18.0 1.0

Calcium binding site 3 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 3 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca404

b:15.1
occ:1.00
 O E:GLU187 2.4 20.9 1.0
OD2 E:ASP138 2.4 22.8 1.0
OD1 E:ASP185 2.4 18.8 1.0
O E:HOH434 2.4 16.7 1.0
OE2 E:GLU190 2.5 22.5 1.0
OE1 E:GLU177 2.5 22.5 1.0
OE1 E:GLU190 2.5 21.6 1.0
OE2 E:GLU177 2.7 19.1 1.0
CD E:GLU190 2.9 21.9 1.0
CD E:GLU177 3.0 21.1 1.0
CG E:ASP138 3.4 24.4 1.0
C E:GLU187 3.4 20.8 1.0
CG E:ASP185 3.5 19.9 1.0
CA E:CA402 3.8 19.7 1.0
OD2 E:ASP185 3.8 24.2 1.0
CB E:ASP138 4.1 21.5 1.0
O E:ASP185 4.1 19.3 1.0
N E:GLU187 4.2 21.6 1.0
CA E:GLU187 4.3 21.5 1.0
N E:ILE188 4.3 19.9 1.0
OD1 E:ASP138 4.3 27.9 1.0
CA E:ILE188 4.4 20.1 1.0
CG E:GLU190 4.4 20.5 1.0
CG E:GLU177 4.4 18.6 1.0
N E:GLY189 4.5 20.1 1.0
O E:HOH484 4.5 27.9 1.0
CB E:GLU187 4.6 20.6 1.0
C E:ASP185 4.6 20.2 1.0
N E:ASP185 4.7 19.8 1.0
CB E:ASP185 4.8 20.1 1.0
O E:HOH458 4.8 28.6 1.0
C E:ILE188 4.9 20.6 1.0
CB E:GLU177 4.9 16.4 1.0
N E:GLU190 5.0 18.4 1.0
CA E:ASP185 5.0 19.5 1.0

Calcium binding site 4 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 4 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca405

b:18.8
occ:1.00
 O E:HOH432 2.3 23.6 1.0
O E:ILE197 2.4 20.1 1.0
O E:THR194 2.4 22.9 1.0
O E:TYR193 2.4 18.7 1.0
OD1 E:ASP200 2.4 20.7 1.0
O E:HOH414 2.5 20.4 1.0
OG1 E:THR194 2.5 22.3 1.0
C E:THR194 3.2 22.9 1.0
C E:TYR193 3.4 21.1 1.0
CG E:ASP200 3.5 24.4 1.0
C E:ILE197 3.5 24.6 1.0
CB E:THR194 3.6 22.6 1.0
CA E:THR194 3.7 21.8 1.0
OD2 E:ASP200 3.9 21.3 1.0
N E:THR194 3.9 21.1 1.0
N E:PRO195 4.2 24.2 1.0
CA E:ILE197 4.3 24.6 1.0
CB E:ILE197 4.3 25.0 1.0
N E:ILE197 4.3 24.6 1.0
O E:ASP200 4.4 23.0 1.0
N E:SER198 4.5 25.1 1.0
CA E:TYR193 4.6 20.1 1.0
N E:ASP200 4.6 25.0 1.0
CA E:SER198 4.6 27.0 1.0
O E:HOH502 4.7 28.9 1.0
O E:GLU190 4.7 18.9 1.0
CA E:PRO195 4.7 25.4 1.0
CD2 E:TYR193 4.7 20.8 1.0
CB E:TYR193 4.8 20.9 1.0
CB E:ASP200 4.8 23.4 1.0
CG2 E:ILE197 4.8 25.6 1.0
C E:ASP200 4.8 22.9 1.0
CG2 E:THR194 4.9 21.8 1.0
C E:SER198 4.9 26.2 1.0
C E:PRO195 4.9 26.2 1.0
N E:GLY199 5.0 25.4 1.0
CA E:ASP200 5.0 23.6 1.0

Calcium binding site 5 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 5 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca406

b:14.0
occ:0.50
 O E:HOH585 2.2 31.4 1.0
O E:HOH584 2.2 32.1 1.0
O E:HOH586 2.4 37.7 1.0
O E:TYR211 2.4 26.0 1.0
O E:HOH546 2.5 23.4 1.0
C E:TYR211 3.5 24.8 1.0
CB E:TYR211 3.9 24.4 1.0
CA E:TYR211 4.2 24.0 1.0
O E:LEU202 4.4 19.6 1.0
O E:HOH559 4.5 31.4 1.0
OD1 E:ASP213 4.5 21.8 1.0
O E:HOH538 4.5 26.1 1.0
N E:GLY212 4.6 23.9 1.0
O E:HOH581 4.6 37.5 1.0
OD2 E:ASP213 4.7 24.6 1.0
CA E:GLY212 4.9 23.5 1.0
CG E:ASP213 4.9 24.1 1.0

Calcium binding site 6 out of 6 in 2a7g

Go back to Calcium Binding Sites List in 2a7g
Calcium binding site 6 out of 6 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:

Reference:

C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part III. the Optimal Data-Collection Wavelength. Acta Crystallogr.,Sect.D V. 61 1263 2005.
ISSN: ISSN 0907-4449
PubMed: 16131760
DOI: 10.1107/S0907444905021475
Page generated: Fri Jul 12 08:36:01 2024

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