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Calcium in PDB 6f6q: Carboxypeptidase T Mutant L254N with Sulphamoil Arginine

Enzymatic activity of Carboxypeptidase T Mutant L254N with Sulphamoil Arginine

All present enzymatic activity of Carboxypeptidase T Mutant L254N with Sulphamoil Arginine:
3.4.17.18;

Protein crystallography data

The structure of Carboxypeptidase T Mutant L254N with Sulphamoil Arginine, PDB code: 6f6q 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) 28.77 / 1.79
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 157.810, 157.810, 103.940, 90.00, 90.00, 120.00
R / Rfree (%) 11.5 / 13.1

Other elements in 6f6q:

The structure of Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine (pdb code 6f6q). 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 L254N with Sulphamoil Arginine, PDB code: 6f6q:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 6f6q

Go back to Calcium Binding Sites List in 6f6q
Calcium binding site 1 out of 5 in the Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:19.7
occ:1.00
 O A:HOH687 2.3 31.4 1.0
O A:SER7 2.3 16.9 1.0
O A:HOH699 2.4 20.4 1.0
O A:TYR9 2.4 15.9 1.0
O A:HOH766 2.4 23.2 1.0
OE1 A:GLU14 2.5 16.6 1.0
OE2 A:GLU14 2.6 20.1 1.0
CD A:GLU14 2.9 18.6 1.0
C A:SER7 3.5 15.9 1.0
C A:TYR9 3.6 14.0 1.0
CA A:SER7 4.2 16.7 1.0
O A:HOH541 4.3 29.1 1.0
C A:GLY8 4.3 15.0 1.0
CA A:HIS10 4.3 14.0 1.0
N A:TYR9 4.3 14.0 1.0
CG A:GLU14 4.4 17.2 1.0
N A:HIS10 4.4 13.7 1.0
N A:GLY8 4.5 14.8 1.0
O A:HOH526 4.5 45.1 1.0
O A:HOH801 4.6 34.0 1.0
CA A:TYR9 4.6 14.1 1.0
O A:GLY8 4.6 14.9 1.0
O A:HOH532 4.6 39.3 1.0
O A:HOH577 4.6 22.6 1.0
N A:ASN11 4.7 14.3 1.0
CB A:SER7 4.7 17.7 1.0
CA A:GLY8 4.7 15.7 1.0
O A:HOH703 4.8 41.6 1.0
CB A:GLU14 4.9 16.3 1.0
OD1 A:ASP1 5.0 19.9 1.0

Calcium binding site 2 out of 5 in 6f6q

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Calcium binding site 2 out of 5 in the Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:21.9
occ:1.00
 OE1 A:GLU57 2.3 22.5 1.0
O A:ASP51 2.3 19.3 1.0
OD1 A:ASP51 2.3 21.5 1.0
OE1 A:GLU59 2.4 22.4 1.0
OG A:SER50 2.4 17.0 1.0
O A:HOH595 2.4 19.8 1.0
OE2 A:GLU59 2.8 32.4 1.0
CD A:GLU59 3.0 24.7 1.0
C A:ASP51 3.3 19.2 1.0
CB A:SER50 3.4 16.7 1.0
CD A:GLU57 3.5 24.3 1.0
CG A:ASP51 3.5 20.4 1.0
N A:ASP51 3.7 17.9 1.0
CA A:CA410 3.9 31.5 1.0
CA A:ASP51 3.9 17.9 1.0
CG A:GLU57 4.0 22.2 1.0
C A:SER50 4.2 16.7 1.0
CB A:GLU57 4.3 21.2 1.0
CG A:GLU104 4.3 17.9 1.0
CB A:ASP51 4.3 19.0 1.0
CA A:SER50 4.3 15.5 1.0
OD2 A:ASP51 4.4 25.6 1.0
OE2 A:GLU104 4.4 20.4 1.0
N A:ASN52 4.4 20.1 1.0
O A:ASN52 4.4 19.8 1.0
CG A:GLU59 4.4 24.0 1.0
CB A:ASN52 4.5 21.3 1.0
OE2 A:GLU57 4.5 32.5 1.0
O A:ARG103 4.5 17.1 1.0
O A:HOH567 4.5 43.2 1.0
C A:ASN52 4.6 20.7 1.0
O A:VAL100 4.6 15.9 1.0
OD1 A:ASN52 4.7 37.0 1.0
CA A:ASN52 4.7 22.2 1.0
CD A:GLU104 4.8 19.4 1.0
O A:SER50 4.9 16.8 1.0
O A:ASN101 4.9 20.0 1.0
CG A:ASN52 5.0 28.1 1.0

Calcium binding site 3 out of 5 in 6f6q

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Calcium binding site 3 out of 5 in the Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:30.2
occ:1.00
 O A:TYR5 2.3 20.1 1.0
O A:HOH787 2.4 29.4 1.0
OD1 A:ASP291 2.4 16.5 1.0
O A:HOH625 2.4 22.9 1.0
OE2 A:GLU292 2.5 27.2 1.0
O A:HOH779 2.6 40.1 1.0
OE1 A:GLU292 2.6 19.5 1.0
CD A:GLU292 2.9 20.6 1.0
O A:HOH544 3.2 40.6 1.0
CG A:ASP291 3.4 16.8 1.0
C A:TYR5 3.5 18.3 1.0
OD2 A:ASP291 3.8 17.7 1.0
CA A:TYR5 4.3 19.6 1.0
OD1 A:ASP6 4.3 17.0 1.0
CG A:GLU292 4.4 18.5 1.0
N A:ASP291 4.4 14.5 1.0
N A:ASP6 4.5 16.5 1.0
CB A:TYR5 4.6 21.1 1.0
O A:HOH511 4.6 35.5 1.0
N A:GLU292 4.6 13.6 1.0
CB A:ASP291 4.7 15.1 1.0
CA A:ASP6 4.8 16.0 1.0
CA A:ASP291 4.9 14.7 1.0
CB A:PRO290 5.0 18.3 1.0

Calcium binding site 4 out of 5 in 6f6q

Go back to Calcium Binding Sites List in 6f6q
Calcium binding site 4 out of 5 in the Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:21.8
occ:1.00
 OE1 A:GLU104 2.3 21.2 1.0
O A:HOH517 2.3 21.1 1.0
O A:GLU57 2.3 21.4 1.0
OE2 A:GLU61 2.3 19.6 1.0
OD1 A:ASP56 2.4 26.7 1.0
O A:HOH707 2.4 20.4 1.0
CD A:GLU104 3.4 19.4 1.0
CG A:ASP56 3.4 30.5 1.0
CD A:GLU61 3.5 18.1 1.0
C A:GLU57 3.6 20.9 1.0
NH2 A:ARG189 3.9 19.2 1.0
OE2 A:GLU104 3.9 20.4 1.0
OD2 A:ASP56 3.9 29.4 1.0
O A:GLU59 3.9 17.8 1.0
CG A:GLU61 3.9 17.2 1.0
O A:HOH503 4.0 32.1 1.0
N A:GLU57 4.0 20.7 1.0
N A:GLU59 4.3 21.8 1.0
C A:ASP56 4.4 23.2 1.0
CA A:GLU57 4.4 20.5 1.0
O A:HOH781 4.5 40.6 1.0
CA A:ASN58 4.5 25.5 1.0
N A:ASN58 4.5 23.4 1.0
OE1 A:GLU61 4.5 16.8 1.0
OE1 A:GLN196 4.5 20.1 1.0
CB A:ASP56 4.6 27.7 1.0
CG A:GLU104 4.6 17.9 1.0
CA A:ASP56 4.7 24.2 1.0
CG A:GLN196 4.7 17.5 1.0
CB A:GLN196 4.8 15.6 1.0
C A:GLU59 4.9 18.8 1.0
CB A:GLU104 5.0 16.1 1.0

Calcium binding site 5 out of 5 in 6f6q

Go back to Calcium Binding Sites List in 6f6q
Calcium binding site 5 out of 5 in the Carboxypeptidase T Mutant L254N 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 L254N with Sulphamoil Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca410

b:31.5
occ:1.00
 O A:HOH567 2.3 43.2 1.0
OE2 A:GLU59 2.3 32.4 1.0
O A:HOH736 2.4 42.8 1.0
O A:HOH740 2.4 37.6 1.0
O A:ASN101 2.4 20.0 1.0
OD2 A:ASP51 2.5 25.6 1.0
OD1 A:ASP51 2.7 21.5 1.0
CG A:ASP51 3.0 20.4 1.0
C A:ASN101 3.5 18.3 1.0
CD A:GLU59 3.6 24.7 1.0
OE1 A:GLU57 3.6 22.5 1.0
CA A:CA403 3.9 21.9 1.0
CA A:ASN101 4.3 17.9 1.0
CD A:GLU57 4.4 24.3 1.0
OE1 A:GLU59 4.4 22.4 1.0
CG A:GLU59 4.4 24.0 1.0
N A:ASN102 4.4 18.3 1.0
OE2 A:GLU57 4.5 32.5 1.0
OD1 A:ASN52 4.5 37.0 1.0
CB A:ASP51 4.5 19.0 1.0
CA A:ASN102 4.6 18.6 1.0
OD1 A:ASN102 4.8 22.3 1.0
CB A:ASN101 4.8 20.0 1.0
O A:HOH570 4.9 43.4 1.0

Reference:

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T Mutant L254N with Sulphamoil Arginine To Be Published.
Page generated: Tue Jul 16 07:38:36 2024

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