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Calcium in PDB 4iav: G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine

Enzymatic activity of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine

All present enzymatic activity of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine:
3.4.17.18;

Protein crystallography data

The structure of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine, PDB code: 4iav was solved by V.I.Timofeev, S.A.Kuznetsov, 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) 10.00 / 1.35
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 157.722, 157.722, 104.461, 90.00, 90.00, 120.00
R / Rfree (%) 13.9 / 15.4

Other elements in 4iav:

The structure of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine (pdb code 4iav). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine, PDB code: 4iav:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 4iav

Go back to Calcium Binding Sites List in 4iav
Calcium binding site 1 out of 5 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:17.7
occ:0.73
 O A:HOH676 2.3 22.5 1.0
O A:HOH755 2.3 34.4 1.0
O A:SER7 2.3 19.4 1.0
O A:HOH570 2.4 28.2 1.0
O A:TYR9 2.4 13.6 1.0
OE1 A:GLU14 2.5 15.1 1.0
OE2 A:GLU14 2.8 21.1 1.0
CD A:GLU14 3.0 16.4 1.0
C A:SER7 3.5 17.1 1.0
C A:TYR9 3.6 12.2 1.0
CA A:SER7 4.2 18.0 1.0
O A:HOH662 4.3 27.9 0.9
CA A:HIS10 4.3 11.1 1.0
N A:HIS10 4.4 11.1 1.0
N A:TYR9 4.4 12.4 1.0
CG A:GLU14 4.4 14.3 1.0
C A:GLY8 4.4 13.7 1.0
N A:GLY8 4.5 16.4 1.0
O A:HOH678 4.6 32.0 0.8
CA A:TYR9 4.6 11.1 1.0
O A:HOH616 4.6 19.5 0.7
N A:ASN11 4.7 11.8 1.0
CB A:SER7 4.7 21.5 1.0
CA A:GLY8 4.7 15.3 1.0
O A:HOH775 4.7 40.1 1.0
O A:GLY8 4.7 15.7 1.0
CB A:GLU14 4.9 13.1 1.0
C A:HIS10 5.0 11.6 1.0

Calcium binding site 2 out of 5 in 4iav

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Calcium binding site 2 out of 5 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:16.5
occ:0.86
 OE1 A:GLU57 2.3 25.7 1.0
OG A:SER50 2.3 15.7 1.0
O A:ASP51 2.3 18.8 1.0
OD1 A:ASP51 2.4 22.9 1.0
O A:HOH587 2.4 18.2 1.0
OE1 A:GLU59 2.4 23.6 1.0
CD A:GLU59 3.2 27.4 1.0
OE2 A:GLU59 3.2 37.7 1.0
C A:ASP51 3.4 18.7 1.0
CB A:SER50 3.4 14.6 1.0
CD A:GLU57 3.5 27.6 1.0
CG A:ASP51 3.5 23.6 1.0
N A:ASP51 3.7 15.1 1.0
CA A:CA420 3.9 32.9 1.0
CA A:ASP51 4.0 17.7 1.0
CG A:GLU57 4.0 24.1 1.0
C A:SER50 4.2 13.5 1.0
CB A:GLU57 4.3 21.4 1.0
CG A:GLU104 4.3 15.5 1.0
CA A:SER50 4.3 13.2 1.0
CB A:ASP51 4.4 19.9 1.0
OD2 A:ASP51 4.4 26.7 1.0
OE2 A:GLU104 4.4 18.9 1.0
O A:ASN52 4.4 19.6 1.0
O A:ARG103 4.4 14.2 1.0
CB A:ASN52 4.4 24.1 1.0
N A:ASN52 4.5 19.6 1.0
OE2 A:GLU57 4.5 34.8 1.0
CG A:GLU59 4.6 27.2 1.0
C A:ASN52 4.6 19.9 1.0
O A:VAL100 4.6 14.7 1.0
CA A:ASN52 4.8 22.7 1.0
CD A:GLU104 4.8 18.9 1.0
OD1 A:ASN52 4.8 32.3 1.0
O A:SER50 4.9 15.0 1.0
O A:ASN101 4.9 18.3 1.0
O A:HOH756 4.9 50.7 1.0

Calcium binding site 3 out of 5 in 4iav

Go back to Calcium Binding Sites List in 4iav
Calcium binding site 3 out of 5 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca406

b:19.9
occ:1.00
 O A:HOH685 2.2 20.2 1.0
OE1 A:GLU104 2.2 19.4 1.0
OD1 A:ASP56 2.3 20.6 1.0
OE2 A:GLU61 2.4 16.2 1.0
O A:GLU57 2.4 21.2 1.0
O A:HOH686 2.4 17.4 0.7
CD A:GLU104 3.3 18.9 1.0
CG A:ASP56 3.4 22.8 1.0
CD A:GLU61 3.5 14.3 1.0
C A:GLU57 3.7 19.3 1.0
OE2 A:GLU104 3.8 18.9 1.0
NH2 A:ARG189 3.8 21.4 1.0
CG A:GLU61 3.9 12.6 1.0
O A:GLU59 3.9 16.9 1.0
O A:HOH687 3.9 25.7 0.7
OD2 A:ASP56 3.9 23.4 1.0
N A:GLU57 4.0 20.7 1.0
N A:GLU59 4.4 21.0 1.0
C A:ASP56 4.4 21.4 1.0
CA A:GLU57 4.5 17.2 1.0
OE1 A:GLU61 4.5 14.3 1.0
OE1 A:GLN196 4.6 19.2 1.0
CG A:GLU104 4.6 15.5 1.0
O A:HOH697 4.6 30.6 0.9
N A:ASN58 4.6 22.4 1.0
CB A:ASP56 4.6 22.7 1.0
CA A:ASP56 4.7 21.1 1.0
CG A:GLN196 4.7 15.1 1.0
CA A:ASN58 4.7 23.6 1.0
CB A:GLN196 4.8 12.9 1.0
CB A:GLU104 4.9 13.9 1.0
C A:GLU59 4.9 15.8 1.0

Calcium binding site 4 out of 5 in 4iav

Go back to Calcium Binding Sites List in 4iav
Calcium binding site 4 out of 5 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca417

b:31.5
occ:1.00
 O A:TYR5 2.3 21.8 1.0
O A:HOH591 2.4 23.4 0.9
O A:HOH753 2.4 36.4 1.0
OD1 A:ASP291 2.4 18.6 1.0
OE2 A:GLU292 2.5 30.9 1.0
OE1 A:GLU292 2.6 19.8 1.0
O A:HOH754 2.6 46.5 1.0
O A:HOH762 2.8 38.0 0.8
CD A:GLU292 2.9 22.8 1.0
CG A:ASP291 3.4 15.9 1.0
C A:TYR5 3.5 18.9 1.0
OD2 A:ASP291 3.8 15.9 1.0
CA A:TYR5 4.3 21.5 1.0
OD1 A:ASP6 4.3 17.8 1.0
CG A:GLU292 4.4 19.9 1.0
N A:ASP291 4.4 12.7 1.0
CB A:TYR5 4.5 23.6 1.0
N A:ASP6 4.5 17.6 1.0
O A:HOH744 4.5 29.5 0.7
N A:GLU292 4.6 12.0 1.0
CB A:ASP291 4.7 13.6 1.0
CA A:ASP6 4.7 16.0 1.0
CA A:ASP291 4.9 12.6 1.0

Calcium binding site 5 out of 5 in 4iav

Go back to Calcium Binding Sites List in 4iav
Calcium binding site 5 out of 5 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca420

b:32.9
occ:1.00
 OE2 A:GLU59 2.3 37.7 1.0
O A:ASN101 2.4 18.3 1.0
O A:HOH756 2.4 50.7 1.0
O A:HOH757 2.6 49.0 1.0
OD2 A:ASP51 2.6 26.7 1.0
OD1 A:ASP51 2.7 22.9 1.0
CG A:ASP51 3.0 23.6 1.0
CD A:GLU59 3.5 27.4 1.0
C A:ASN101 3.5 15.1 1.0
OE1 A:GLU57 3.5 25.7 1.0
CA A:CA405 3.9 16.5 0.9
OE1 A:GLU59 4.1 23.6 1.0
CD A:GLU57 4.2 27.6 1.0
CA A:ASN101 4.3 16.1 1.0
OE2 A:GLU57 4.3 34.8 1.0
O A:HOH716 4.4 27.9 0.6
N A:ASN102 4.4 14.8 1.0
OD1 A:ASN52 4.4 32.3 1.0
CG A:GLU59 4.4 27.2 1.0
CA A:ASN102 4.5 14.6 1.0
CB A:ASP51 4.5 19.9 1.0
OD1 A:ASN102 4.8 20.8 1.0
CB A:ASN101 4.8 17.6 1.0

Reference:

V.I.Timofeev, S.A.Kuznetsov, V.K.Akparov, I.P.Kuranova. G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Sulfamoyl-L-Phenylalanine To Be Published.
Page generated: Sun Jul 14 08:07:03 2024

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