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Calcium in PDB 6f79: Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine

Enzymatic activity of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine

All present enzymatic activity of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine:
3.4.17.18;

Protein crystallography data

The structure of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine, PDB code: 6f79 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) 29.85 / 1.90
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 157.960, 157.960, 104.850, 90.00, 90.00, 120.00
R / Rfree (%) 12.7 / 14.7

Other elements in 6f79:

The structure of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine (pdb code 6f79). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine, PDB code: 6f79:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 6f79

Go back to Calcium Binding Sites List in 6f79
Calcium binding site 1 out of 5 in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:16.5
occ:1.00
 O A:SER7 2.3 15.5 1.0
O A:HOH661 2.3 25.6 1.0
O A:HOH703 2.3 18.7 1.0
O A:TYR9 2.4 12.5 1.0
O A:HOH757 2.4 20.3 1.0
OE1 A:GLU14 2.5 15.3 1.0
OE2 A:GLU14 2.6 18.4 1.0
CD A:GLU14 2.9 17.2 1.0
C A:SER7 3.5 14.8 1.0
C A:TYR9 3.6 12.0 1.0
O A:HOH578 4.2 25.3 1.0
CA A:SER7 4.2 15.4 1.0
C A:GLY8 4.3 12.6 1.0
CA A:HIS10 4.3 12.0 1.0
N A:TYR9 4.4 11.1 1.0
CG A:GLU14 4.4 15.9 1.0
N A:HIS10 4.4 11.8 1.0
N A:GLY8 4.5 14.1 1.0
O A:HOH790 4.5 33.6 1.0
O A:HOH640 4.6 21.1 1.0
CA A:TYR9 4.6 11.5 1.0
CB A:SER7 4.6 16.6 1.0
O A:GLY8 4.6 12.3 1.0
CA A:GLY8 4.7 13.9 1.0
N A:ASN11 4.7 12.1 1.0
O A:HOH649 4.7 41.4 1.0
O A:HOH800 4.7 40.0 1.0
CB A:GLU14 5.0 14.6 1.0

Calcium binding site 2 out of 5 in 6f79

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Calcium binding site 2 out of 5 in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:18.2
occ:1.00
 OD1 A:ASP51 2.3 16.4 1.0
O A:ASP51 2.3 16.1 1.0
OE1 A:GLU57 2.3 22.9 1.0
OG A:SER50 2.4 13.9 1.0
O A:HOH582 2.4 18.3 1.0
OE1 A:GLU59 2.4 20.2 1.0
OE2 A:GLU59 3.0 30.5 1.0
CD A:GLU59 3.1 24.5 1.0
C A:ASP51 3.3 15.3 1.0
CB A:SER50 3.4 13.6 1.0
CD A:GLU57 3.5 25.1 1.0
CG A:ASP51 3.5 14.1 1.0
N A:ASP51 3.7 14.1 1.0
CA A:ASP51 3.9 13.9 1.0
CA A:CA408 3.9 30.7 1.0
CG A:GLU57 4.1 23.1 1.0
C A:SER50 4.1 13.7 1.0
CB A:ASP51 4.3 13.4 1.0
CG A:GLU104 4.3 16.5 1.0
CA A:SER50 4.3 12.7 1.0
CB A:GLU57 4.4 22.1 1.0
OD2 A:ASP51 4.4 17.9 1.0
OE2 A:GLU104 4.4 18.5 1.0
N A:ASN52 4.4 16.8 1.0
O A:ASN52 4.4 16.6 1.0
O A:ARG103 4.5 13.0 1.0
OE2 A:GLU57 4.5 30.9 1.0
CB A:ASN52 4.5 20.1 1.0
CG A:GLU59 4.5 23.7 1.0
C A:ASN52 4.6 17.9 1.0
O A:VAL100 4.6 13.7 1.0
CD A:GLU104 4.7 17.7 1.0
CA A:ASN52 4.7 18.2 1.0
OD1 A:ASN52 4.8 30.9 1.0
O A:SER50 4.9 13.4 1.0
O A:ASN101 4.9 17.7 1.0

Calcium binding site 3 out of 5 in 6f79

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Calcium binding site 3 out of 5 in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:27.4
occ:1.00
 O A:TYR5 2.3 17.7 1.0
O A:HOH778 2.4 27.9 1.0
OD1 A:ASP291 2.4 13.8 1.0
OE2 A:GLU292 2.4 19.9 1.0
O A:HOH638 2.4 21.6 1.0
O A:HOH767 2.6 35.4 1.0
OE1 A:GLU292 2.6 15.1 1.0
CD A:GLU292 2.9 14.0 1.0
O A:HOH557 3.3 41.1 1.0
CG A:ASP291 3.4 15.1 1.0
C A:TYR5 3.5 16.9 1.0
OD2 A:ASP291 3.8 15.4 1.0
CA A:TYR5 4.3 18.0 1.0
OD1 A:ASP6 4.3 14.5 1.0
CG A:GLU292 4.4 12.5 1.0
N A:ASP291 4.4 12.5 1.0
O A:HOH837 4.6 36.4 1.0
N A:ASP6 4.6 15.0 1.0
N A:GLU292 4.6 11.4 1.0
CB A:TYR5 4.6 19.4 1.0
O A:HOH507 4.6 32.0 1.0
CB A:ASP291 4.7 13.7 1.0
CA A:ASP6 4.8 14.0 1.0
CA A:ASP291 4.9 12.8 1.0
CB A:PRO290 5.0 15.4 1.0

Calcium binding site 4 out of 5 in 6f79

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Calcium binding site 4 out of 5 in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:19.2
occ:1.00
 OE1 A:GLU104 2.3 19.5 1.0
OD1 A:ASP56 2.3 19.5 1.0
O A:HOH513 2.3 18.6 1.0
OE2 A:GLU61 2.4 16.9 1.0
O A:GLU57 2.4 21.6 1.0
O A:HOH696 2.4 18.2 1.0
CG A:ASP56 3.4 22.2 1.0
CD A:GLU104 3.4 17.7 1.0
CD A:GLU61 3.5 16.4 1.0
C A:GLU57 3.6 24.1 1.0
NH2 A:ARG189 3.8 21.2 1.0
OD2 A:ASP56 3.9 22.1 1.0
O A:HOH506 3.9 30.2 1.0
OE2 A:GLU104 3.9 18.5 1.0
O A:GLU59 3.9 15.1 1.0
CG A:GLU61 3.9 16.3 1.0
N A:GLU57 4.0 20.9 1.0
N A:GLU59 4.3 22.6 1.0
C A:ASP56 4.4 22.2 1.0
O A:HOH583 4.4 32.9 1.0
CA A:GLU57 4.5 21.9 1.0
OE1 A:GLN196 4.5 15.7 1.0
OE1 A:GLU61 4.6 15.7 1.0
N A:ASN58 4.6 26.7 1.0
CB A:ASP56 4.6 21.3 1.0
CA A:ASP56 4.6 20.9 1.0
CG A:GLN196 4.7 14.5 1.0
CG A:GLU104 4.7 16.5 1.0
CA A:ASN58 4.7 33.5 1.0
CB A:GLN196 4.8 13.2 1.0
C A:GLU59 4.9 17.9 1.0
O A:ASP56 5.0 23.9 1.0
CB A:GLU104 5.0 14.8 1.0

Calcium binding site 5 out of 5 in 6f79

Go back to Calcium Binding Sites List in 6f79
Calcium binding site 5 out of 5 in the Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca408

b:30.7
occ:1.00
 OE2 A:GLU59 2.3 30.5 1.0
O A:ASN101 2.4 17.7 1.0
O A:HOH705 2.4 33.8 1.0
OD2 A:ASP51 2.6 17.9 1.0
OD1 A:ASP51 2.7 16.4 1.0
CG A:ASP51 3.0 14.1 1.0
C A:ASN101 3.5 16.4 1.0
CD A:GLU59 3.5 24.5 1.0
OE1 A:GLU57 3.6 22.9 1.0
CA A:CA403 3.9 18.2 1.0
OE1 A:GLU59 4.3 20.2 1.0
CD A:GLU57 4.3 25.1 1.0
CA A:ASN101 4.3 16.3 1.0
OE2 A:GLU57 4.4 30.9 1.0
CG A:GLU59 4.4 23.7 1.0
N A:ASN102 4.4 16.2 1.0
CB A:ASP51 4.5 13.4 1.0
CA A:ASN102 4.5 15.8 1.0
OD1 A:ASN52 4.6 30.9 1.0
OD1 A:ASN102 4.8 18.9 1.0
CB A:ASN101 4.9 17.5 1.0

Reference:

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T Mutant L211Q with Sulphamoil Arginine To Be Published.
Page generated: Tue Jul 16 07:38:56 2024

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