Calcium in PDB 7aru: L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine

Enzymatic activity of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine

All present enzymatic activity of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine:
3.4.17.18;

Protein crystallography data

The structure of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine, PDB code: 7aru was solved by V.I.Timofeev, V.K.Akparov, I.P.Kuranova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.91 / 2.05
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 158.110, 158.110, 104.042, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 16.8

Other elements in 7aru:

The structure of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine (pdb code 7aru). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine, PDB code: 7aru:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 7aru

Go back to Calcium Binding Sites List in 7aru
Calcium binding site 1 out of 5 in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:30.4
occ:1.00
 OE1 A:GLU104 2.3 23.4 1.0
O A:HOH504 2.3 25.1 1.0
OD1 A:ASP56 2.4 28.5 1.0
O A:GLU57 2.4 28.3 1.0
OE2 A:GLU61 2.5 17.8 1.0
O A:HOH612 2.5 24.1 1.0
CD A:GLU104 3.4 22.1 1.0
CG A:ASP56 3.4 30.0 1.0
CD A:GLU61 3.5 17.2 1.0
C A:GLU57 3.7 30.4 1.0
O A:HOH505 3.8 33.4 1.0
O A:GLU59 3.8 19.5 1.0
NH2 A:ARG189 3.8 21.7 1.0
OD2 A:ASP56 3.9 30.2 1.0
CG A:GLU61 3.9 16.5 1.0
OE2 A:GLU104 4.0 22.4 1.0
N A:GLU59 4.1 27.4 1.0
N A:GLU57 4.1 28.4 1.0
OE1 A:GLN196 4.4 19.1 1.0
C A:ASP56 4.5 29.6 1.0
CA A:GLU57 4.6 29.1 1.0
N A:ASN58 4.6 31.9 1.0
CG A:GLN196 4.6 16.9 1.0
CG A:GLU104 4.6 19.9 1.0
OE1 A:GLU61 4.6 17.1 1.0
CB A:ASP56 4.7 29.8 1.0
CA A:ASN58 4.7 35.3 1.0
CB A:GLN196 4.7 16.1 1.0
CA A:ASP56 4.7 29.4 1.0
C A:GLU59 4.8 21.1 1.0
CB A:GLU104 4.9 18.2 1.0
C A:ASN58 4.9 32.9 1.0
CD A:GLN196 5.0 18.0 1.0
CA A:GLU59 5.0 25.7 1.0

Calcium binding site 2 out of 5 in 7aru

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Calcium binding site 2 out of 5 in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:31.1
occ:1.00
 OD1 A:ASP51 2.4 30.6 1.0
O A:ASP51 2.4 21.5 1.0
OE1 A:GLU57 2.4 31.9 1.0
O A:HOH541 2.4 23.3 1.0
OG A:SER50 2.4 18.0 1.0
OE1 A:GLU59 2.5 30.2 1.0
CD A:GLU59 3.2 29.9 1.0
OE2 A:GLU59 3.3 34.9 1.0
C A:ASP51 3.4 23.1 1.0
CB A:SER50 3.5 17.6 1.0
CD A:GLU57 3.5 32.7 1.0
CG A:ASP51 3.5 29.3 1.0
N A:ASP51 3.8 21.1 1.0
CA A:CA405 3.9 50.1 1.0
CG A:GLU57 4.0 31.2 1.0
CA A:ASP51 4.0 23.2 1.0
C A:SER50 4.2 18.8 1.0
CG A:GLU104 4.3 19.9 1.0
CA A:SER50 4.3 17.4 1.0
CB A:GLU57 4.4 29.2 1.0
OE2 A:GLU104 4.4 22.4 1.0
CB A:ASP51 4.4 25.6 1.0
O A:ARG103 4.4 17.5 1.0
OD2 A:ASP51 4.4 32.9 1.0
O A:ASN52 4.5 24.1 1.0
N A:ASN52 4.5 24.6 1.0
OE2 A:GLU57 4.6 36.1 1.0
CB A:ASN52 4.6 27.8 1.0
O A:VAL100 4.6 16.9 1.0
C A:ASN52 4.6 24.9 1.0
CG A:GLU59 4.7 29.0 1.0
CD A:GLU104 4.7 22.1 1.0
OD1 A:ASN52 4.8 35.9 1.0
CA A:ASN52 4.8 25.6 1.0
O A:ASN101 4.9 19.2 1.0
O A:SER50 4.9 18.1 1.0

Calcium binding site 3 out of 5 in 7aru

Go back to Calcium Binding Sites List in 7aru
Calcium binding site 3 out of 5 in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:50.1
occ:1.00
 OE2 A:GLU59 2.4 34.9 1.0
O A:ASN101 2.5 19.2 1.0
OD2 A:ASP51 2.7 32.9 1.0
OD1 A:ASP51 2.8 30.6 1.0
CG A:ASP51 3.1 29.3 1.0
OE1 A:GLU57 3.4 31.9 1.0
CD A:GLU59 3.6 29.9 1.0
C A:ASN101 3.7 19.6 1.0
CA A:CA404 3.9 31.1 1.0
CD A:GLU57 4.1 32.7 1.0
OE1 A:GLU59 4.2 30.2 1.0
OE2 A:GLU57 4.3 36.1 1.0
CA A:ASN101 4.5 19.4 1.0
OD1 A:ASN52 4.5 35.9 1.0
CG A:GLU59 4.6 29.0 1.0
N A:ASN102 4.6 19.5 1.0
CB A:ASP51 4.6 25.6 1.0
CA A:ASN102 4.7 19.1 1.0
OD1 A:ASN102 4.8 21.5 1.0

Calcium binding site 4 out of 5 in 7aru

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Calcium binding site 4 out of 5 in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca406

b:22.9
occ:1.00
 O A:HOH655 2.2 21.4 1.0
O A:SER7 2.3 17.2 1.0
O A:TYR9 2.4 13.8 1.0
O A:HOH645 2.4 26.2 1.0
O A:HOH700 2.5 24.1 1.0
OE1 A:GLU14 2.5 17.0 1.0
OE2 A:GLU14 2.7 18.8 1.0
CD A:GLU14 2.9 18.3 1.0
C A:SER7 3.4 16.6 1.0
C A:TYR9 3.6 14.7 1.0
CA A:SER7 4.1 17.1 1.0
O A:HOH532 4.2 27.4 1.0
N A:TYR9 4.3 14.3 1.0
C A:GLY8 4.3 14.9 1.0
CG A:GLU14 4.4 17.2 1.0
N A:HIS10 4.4 13.9 1.0
CA A:HIS10 4.4 14.3 1.0
N A:GLY8 4.5 16.1 1.0
O A:HOH721 4.5 33.0 1.0
CA A:TYR9 4.6 13.6 1.0
CB A:SER7 4.6 17.3 1.0
O A:GLY8 4.6 14.8 1.0
O A:HOH539 4.6 21.6 1.0
N A:ASN11 4.7 14.2 1.0
CA A:GLY8 4.7 15.7 1.0
CB A:GLU14 4.9 16.6 1.0
OD1 A:ASP1 4.9 22.1 1.0

Calcium binding site 5 out of 5 in 7aru

Go back to Calcium Binding Sites List in 7aru
Calcium binding site 5 out of 5 in the L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N- Sulfamoyl-L-Valine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca407

b:43.2
occ:1.00
 O A:TYR5 2.3 19.7 1.0
OD1 A:ASP291 2.5 15.4 1.0
OE2 A:GLU292 2.5 28.8 1.0
O A:HOH593 2.5 26.3 1.0
OE1 A:GLU292 2.7 21.9 1.0
CD A:GLU292 2.9 23.8 1.0
CG A:ASP291 3.4 15.9 1.0
C A:TYR5 3.5 19.4 1.0
OD2 A:ASP291 3.8 16.4 1.0
CA A:TYR5 4.3 20.7 1.0
OD1 A:ASP6 4.3 16.5 1.0
CG A:GLU292 4.4 21.1 1.0
N A:ASP291 4.5 14.6 1.0
N A:ASP6 4.5 18.0 1.0
N A:GLU292 4.6 15.1 1.0
CB A:ASP291 4.6 15.0 1.0
CB A:TYR5 4.7 21.4 1.0
CA A:ASP6 4.7 17.6 1.0
CA A:ASP291 4.9 14.5 1.0
CB A:PRO290 5.0 15.2 1.0

Reference:

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. L254N Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris N-Sulfamoyl-L-Valine To Be Published.
Page generated: Sat Dec 12 08:00:54 2020

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