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Calcium in PDB 4ik2: G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu

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

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

Protein crystallography data

The structure of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu, PDB code: 4ik2 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) 12.00 / 1.40
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 158.243, 158.243, 104.657, 90.00, 90.00, 120.00
R / Rfree (%) 12.5 / 13.6

Other elements in 4ik2:

The structure of G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu 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-Boc-L-Leu (pdb code 4ik2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu, PDB code: 4ik2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4ik2

Go back to Calcium Binding Sites List in 4ik2
Calcium binding site 1 out of 4 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu


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-Boc-L-Leu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:29.4
occ:0.90
OE2 A:GLU57 2.3 29.6 1.0
OG A:SER50 2.3 15.1 0.5
O A:HOH709 2.4 24.0 1.0
O A:ASP51 2.4 20.5 1.0
OD1 A:ASP51 2.6 21.3 1.0
OE1 A:GLU59 2.7 29.7 1.0
CD A:GLU57 3.5 29.5 1.0
CB A:SER50 3.5 16.8 0.5
CB A:SER50 3.5 14.6 0.5
C A:ASP51 3.5 19.1 1.0
OG A:SER50 3.5 19.8 0.5
CD A:GLU59 3.5 25.2 1.0
OE2 A:GLU59 3.6 30.6 1.0
CG A:ASP51 3.7 22.2 1.0
N A:ASP51 3.7 15.7 1.0
CA A:CA406 4.0 62.1 1.0
CA A:ASP51 4.1 17.2 1.0
CG A:GLU57 4.1 26.4 1.0
C A:SER50 4.2 14.9 0.5
C A:SER50 4.2 15.1 0.5
CG A:GLU104 4.3 16.1 1.0
CA A:SER50 4.3 13.8 0.5
OE2 A:GLU104 4.3 20.4 1.0
CA A:SER50 4.4 14.2 0.5
CB A:GLU57 4.4 24.1 1.0
OE1 A:GLU57 4.4 36.7 1.0
O A:ARG103 4.5 15.4 1.0
OD2 A:ASP51 4.5 28.5 1.0
O A:ASN52 4.5 20.3 1.0
CB A:ASP51 4.5 20.2 1.0
CB A:ASN52 4.5 21.7 1.0
O A:VAL100 4.5 14.4 1.0
N A:ASN52 4.5 20.6 1.0
C A:ASN52 4.7 19.8 1.0
CD A:GLU104 4.7 19.6 1.0
ND2 A:ASN52 4.8 27.1 1.0
O A:ASN101 4.8 16.9 1.0
CA A:ASN52 4.8 21.4 1.0
CG A:GLU59 4.9 21.8 1.0
O A:SER50 5.0 15.6 0.5

Calcium binding site 2 out of 4 in 4ik2

Go back to Calcium Binding Sites List in 4ik2
Calcium binding site 2 out of 4 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu


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-Boc-L-Leu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:23.2
occ:1.00
O A:HOH710 2.1 24.7 1.0
OE1 A:GLU104 2.2 21.9 1.0
OD1 A:ASP56 2.4 16.0 0.5
OE2 A:GLU61 2.4 16.0 1.0
O A:HOH737 2.5 25.1 1.0
O A:GLU57 2.5 25.1 1.0
CD A:GLU104 3.4 19.6 1.0
CG A:ASP56 3.5 21.0 0.5
CD A:GLU61 3.5 13.8 1.0
C A:GLU57 3.7 23.5 1.0
O A:HOH822 3.8 29.9 1.0
NH2 A:ARG189 3.8 19.8 1.0
OE2 A:GLU104 3.9 20.4 1.0
O A:GLU59 3.9 17.4 1.0
OD2 A:ASP56 3.9 19.4 0.5
CG A:GLU61 3.9 12.4 1.0
N A:GLU57 4.1 23.0 1.0
N A:GLU59 4.2 20.7 1.0
C A:ASP56 4.5 23.6 0.5
C A:ASP56 4.5 23.9 0.5
OE1 A:GLN196 4.5 19.4 1.0
CA A:GLU57 4.5 23.2 1.0
OE1 A:GLU61 4.6 13.9 1.0
CG A:GLU104 4.6 16.1 1.0
O A:HOH814 4.6 36.1 1.0
N A:ASN58 4.7 25.5 1.0
CB A:ASP56 4.7 21.9 0.5
CG A:GLN196 4.7 14.6 1.0
CA A:ASP56 4.7 22.2 0.5
CA A:ASP56 4.7 23.2 0.5
CB A:ASP56 4.7 25.0 0.5
CA A:ASN58 4.7 25.3 1.0
CB A:GLN196 4.8 13.0 1.0
C A:GLU59 4.8 16.9 1.0
CB A:GLU104 4.9 14.3 1.0

Calcium binding site 3 out of 4 in 4ik2

Go back to Calcium Binding Sites List in 4ik2
Calcium binding site 3 out of 4 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu


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-Boc-L-Leu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca406

b:62.1
occ:1.00
OE2 A:GLU59 2.6 30.6 1.0
O A:ASN101 2.7 16.9 1.0
OD2 A:ASP51 3.1 28.5 1.0
O A:HOH874 3.1 52.1 1.0
OD1 A:ASP51 3.1 21.3 1.0
OE2 A:GLU57 3.4 29.6 1.0
CG A:ASP51 3.5 22.2 1.0
OE1 A:GLU57 3.7 36.7 1.0
CD A:GLU59 3.7 25.2 1.0
C A:ASN101 3.9 15.1 1.0
CD A:GLU57 3.9 29.5 1.0
CA A:CA404 4.0 29.4 0.9
OE1 A:GLU59 4.3 29.7 1.0
ND2 A:ASN52 4.3 27.1 1.0
O A:HOH844 4.5 36.3 1.0
CA A:ASN101 4.7 14.9 1.0
N A:ASN102 4.8 14.1 1.0
ND2 A:ASN102 4.8 17.0 1.0
CG A:GLU59 4.8 21.8 1.0
CA A:ASN102 4.8 14.3 1.0

Calcium binding site 4 out of 4 in 4ik2

Go back to Calcium Binding Sites List in 4ik2
Calcium binding site 4 out of 4 in the G215S, A251G, T257A, D260G, T262D Mutant of Carboxypeptidase T From Thermoactinomyces Vulgaris with N-Boc-L-Leu


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-Boc-L-Leu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca407

b:21.6
occ:1.00
O A:HOH678 2.3 19.9 1.0
O A:SER7 2.3 16.0 1.0
O A:HOH826 2.4 30.7 1.0
O A:HOH640 2.4 24.8 1.0
O A:TYR9 2.4 12.1 1.0
OE1 A:GLU14 2.5 13.6 1.0
OE2 A:GLU14 2.8 19.4 1.0
CD A:GLU14 2.9 14.2 1.0
C A:SER7 3.5 14.7 1.0
C A:TYR9 3.6 10.5 1.0
CA A:SER7 4.3 14.9 1.0
O A:HOH689 4.3 30.6 1.0
CA A:HIS10 4.3 10.4 1.0
N A:TYR9 4.3 10.8 1.0
N A:HIS10 4.4 10.3 1.0
C A:GLY8 4.4 12.3 1.0
CG A:GLU14 4.4 12.8 1.0
N A:GLY8 4.5 13.5 1.0
O A:HOH788 4.6 34.1 1.0
CA A:TYR9 4.6 10.4 1.0
O A:HOH723 4.6 23.2 1.0
N A:ASN11 4.6 11.0 1.0
O A:GLY8 4.7 14.0 1.0
CA A:GLY8 4.7 13.1 1.0
CB A:SER7 4.7 16.6 1.0
CB A:GLU14 4.9 11.7 1.0
C A:HIS10 5.0 10.9 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-Boc-L-Leu To Be Published.
Page generated: Sat Dec 12 04:51:59 2020

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