Atomistry » Calcium » PDB 4dg4-4dtj » 4djl
Atomistry »
  Calcium »
    PDB 4dg4-4dtj »
      4djl »

Calcium in PDB 4djl: Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine

Enzymatic activity of Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine

All present enzymatic activity of Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine:
3.4.17.18;

Protein crystallography data

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine, PDB code: 4djl was solved by S.A.Kuznetsov, 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) 16.00 / 1.55
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 157.949, 157.949, 104.197, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 17.4

Other elements in 4djl:

The structure of Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine (pdb code 4djl). 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 with N-Sulfamoyl-L-Phenylalanine, PDB code: 4djl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 4djl

Go back to Calcium Binding Sites List in 4djl
Calcium binding site 1 out of 5 in the Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:21.5
occ:0.89
 OE1 A:GLU104 2.2 21.4 1.0
O A:HOH749 2.2 19.2 0.8
OE2 A:GLU61 2.3 18.0 1.0
OD1 A:ASP56 2.3 21.2 0.8
O A:HOH648 2.6 21.9 0.8
O A:GLU57 2.6 21.2 0.8
CD A:GLU104 3.3 18.4 0.6
CD A:GLU61 3.4 15.2 0.8
CG A:ASP56 3.5 22.1 0.4
OE2 A:GLU104 3.7 16.9 0.8
CG A:GLU61 3.8 14.9 1.0
NH2 A:ARG189 3.8 19.9 0.9
O A:HOH658 3.8 19.9 0.6
O A:GLU59 3.8 15.9 0.9
C A:GLU57 3.9 22.5 0.6
OD2 A:ASP56 4.0 19.2 0.5
N A:GLU57 4.1 22.2 0.9
N A:GLU59 4.4 22.7 1.0
OE1 A:GLU61 4.5 13.0 0.8
NE2 A:GLN196 4.5 18.0 1.0
C A:ASP56 4.5 23.3 0.9
CG A:GLU104 4.6 16.9 1.0
O A:HOH727 4.6 37.0 0.8
CA A:GLU57 4.6 23.7 1.0
CG A:GLN196 4.7 17.1 1.0
CB A:ASP56 4.7 24.1 1.0
CA A:ASP56 4.7 22.3 0.8
CB A:GLN196 4.7 15.0 1.0
CB A:GLU104 4.8 14.9 1.0
N A:ASN58 4.8 25.6 1.0
C A:GLU59 4.9 16.8 1.0
CA A:ASN58 4.9 26.3 0.9

Calcium binding site 2 out of 5 in 4djl

Go back to Calcium Binding Sites List in 4djl
Calcium binding site 2 out of 5 in the Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:18.4
occ:0.76
 OE1 A:GLU57 2.3 27.3 1.0
OG A:SER50 2.4 14.2 0.8
O A:ASP51 2.4 17.3 0.9
O A:HOH651 2.4 16.5 0.9
OD1 A:ASP51 2.4 23.0 0.9
OE1 A:GLU59 2.4 21.8 0.8
OE2 A:GLU59 3.1 29.6 0.8
CD A:GLU59 3.1 23.6 0.8
C A:ASP51 3.4 17.4 0.9
CB A:SER50 3.5 14.2 1.0
CD A:GLU57 3.5 25.2 0.7
CG A:ASP51 3.6 20.3 0.6
N A:ASP51 3.7 15.3 1.0
CA A:CA439 3.9 36.0 1.0
CA A:ASP51 4.1 17.3 1.0
CG A:GLU57 4.1 25.2 1.0
C A:SER50 4.2 15.0 0.8
CG A:GLU104 4.2 16.9 1.0
CB A:GLU57 4.3 23.5 1.0
CA A:SER50 4.3 14.3 1.0
O A:ASN52 4.4 20.7 1.0
CB A:ASP51 4.4 19.5 1.0
O A:ARG103 4.4 12.5 0.8
OD2 A:ASP51 4.4 20.3 0.6
OE2 A:GLU104 4.5 16.9 0.8
N A:ASN52 4.5 18.5 0.8
OE2 A:GLU57 4.5 24.9 0.3
CB A:ASN52 4.6 21.0 1.0
CG A:GLU59 4.6 24.2 1.0
C A:ASN52 4.6 18.5 0.9
O A:VAL100 4.6 15.0 0.9
O A:HOH769 4.7 25.0 0.3
CD A:GLU104 4.8 18.4 0.6
CA A:ASN52 4.8 19.7 0.9
OD1 A:ASN52 4.8 24.4 0.6
O A:SER50 4.9 14.7 0.9
O A:ASN101 4.9 14.5 0.8

Calcium binding site 3 out of 5 in 4djl

Go back to Calcium Binding Sites List in 4djl
Calcium binding site 3 out of 5 in the Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:17.1
occ:0.62
 O A:HOH762 2.3 21.6 1.0
O A:HOH767 2.4 30.8 1.0
O A:SER7 2.4 15.2 0.9
O A:TYR9 2.4 13.2 0.9
OE1 A:GLU14 2.5 13.6 0.8
O A:HOH646 2.6 22.7 0.8
OE2 A:GLU14 2.8 17.6 0.8
CD A:GLU14 3.0 14.6 0.8
C A:SER7 3.5 14.7 0.7
C A:TYR9 3.6 12.3 0.6
O A:HOH635 4.2 28.2 0.9
CA A:SER7 4.3 14.9 0.8
CA A:HIS10 4.3 12.3 1.0
N A:TYR9 4.4 12.3 1.0
C A:GLY8 4.4 13.8 0.9
N A:HIS10 4.4 11.9 1.0
CG A:GLU14 4.4 13.5 1.0
N A:GLY8 4.5 14.4 1.0
O A:HOH631 4.6 31.1 0.8
CA A:TYR9 4.6 11.6 1.0
O A:HOH603 4.6 20.6 0.7
N A:ASN11 4.6 12.0 1.0
O A:GLY8 4.6 14.9 1.0
CA A:GLY8 4.7 14.7 1.0
CB A:SER7 4.8 17.0 1.0
CB A:GLU14 4.9 13.4 1.0
C A:HIS10 5.0 12.6 1.0

Calcium binding site 4 out of 5 in 4djl

Go back to Calcium Binding Sites List in 4djl
Calcium binding site 4 out of 5 in the Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:24.0
occ:0.65
 O A:TYR5 2.4 19.8 0.9
O A:HOH765 2.4 33.4 1.0
OE2 A:GLU292 2.5 19.9 0.5
O A:HOH554 2.5 22.7 0.9
OD1 A:ASP291 2.5 13.8 0.9
O A:HOH766 2.6 41.5 1.0
OE1 A:GLU292 2.7 18.9 1.0
CD A:GLU292 2.9 19.0 0.4
O A:HOH678 3.2 33.3 0.9
CG A:ASP291 3.5 13.2 0.8
C A:TYR5 3.5 18.7 0.6
OD2 A:ASP291 3.9 14.7 0.9
CA A:TYR5 4.3 19.6 0.9
CG A:GLU292 4.4 17.8 0.7
OD1 A:ASP6 4.4 15.3 0.9
N A:ASP291 4.5 12.1 1.0
O A:HOH686 4.6 29.8 0.6
N A:ASP6 4.6 16.9 1.0
CB A:TYR5 4.6 21.8 1.0
N A:GLU292 4.6 12.8 1.0
CB A:ASP291 4.7 11.9 1.0
CA A:ASP6 4.8 15.2 1.0
O A:HOH778 4.9 32.0 1.0
O3 A:GOL422 4.9 32.9 0.3
CA A:ASP291 5.0 12.1 1.0

Calcium binding site 5 out of 5 in 4djl

Go back to Calcium Binding Sites List in 4djl
Calcium binding site 5 out of 5 in the Carboxypeptidase T 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 Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca439

b:36.0
occ:1.00
 OE2 A:GLU59 2.3 29.6 0.8
O A:HOH769 2.3 25.0 0.3
O A:ASN101 2.4 14.5 0.8
O A:HOH764 2.5 45.0 1.0
OD2 A:ASP51 2.7 20.3 0.6
OD1 A:ASP51 2.7 23.0 0.9
CG A:ASP51 3.1 20.3 0.6
OE1 A:GLU57 3.4 27.3 1.0
CD A:GLU59 3.5 23.6 0.8
C A:ASN101 3.5 14.9 0.8
CA A:CA403 3.9 18.4 0.8
CD A:GLU57 4.2 25.2 0.7
OE1 A:GLU59 4.2 21.8 0.8
OE2 A:GLU57 4.3 24.9 0.3
CA A:ASN101 4.4 16.3 1.0
O1 A:GOL433 4.4 40.7 0.7
CG A:GLU59 4.4 24.2 1.0
N A:ASN102 4.4 14.3 1.0
OD1 A:ASN52 4.5 24.4 0.6
CA A:ASN102 4.6 15.0 0.9
CB A:ASP51 4.6 19.5 1.0
OD1 A:ASN102 4.8 16.5 0.8
CB A:ASN101 4.9 17.4 1.0

Reference:

S.A.Kuznetsov, V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T with N-Sulfamoyl-L-Phenylalanine To Be Published.
Page generated: Sat Jul 13 23:28:08 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy