Atomistry » Calcium » PDB 8ax0-8bad » 8b4x
Atomistry »
  Calcium »
    PDB 8ax0-8bad »
      8b4x »

Calcium in PDB 8b4x: X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol

Enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol

All present enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8b4x was solved by S.O.Dahms, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.06 / 1.60
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.049, 132.049, 155.492, 90, 90, 120
R / Rfree (%) 15.8 / 17

Other elements in 8b4x:

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol (pdb code 8b4x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8b4x:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 8b4x

Go back to Calcium Binding Sites List in 8b4x
Calcium binding site 1 out of 3 in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca601

b:27.2
occ:1.00
 OD2 A:ASP174 2.3 26.5 1.0
O A:HOH843 2.4 31.4 1.0
O A:HOH856 2.4 33.2 1.0
O A:HOH1061 2.4 32.1 1.0
O A:ASP181 2.4 29.0 1.0
OD1 A:ASP179 2.5 34.6 1.0
OD2 A:ASP179 2.5 35.6 1.0
CG A:ASP179 2.9 35.4 1.0
HB3 A:ASP181 3.3 39.2 1.0
HB2 A:ASP174 3.3 32.4 1.0
CG A:ASP174 3.3 28.1 1.0
HB3 A:ASP174 3.5 32.4 1.0
CB A:ASP174 3.6 26.9 1.0
C A:ASP181 3.6 28.3 1.0
HB2 A:ASP177 3.7 39.2 1.0
HH11 A:ARG225 3.8 41.4 1.0
H A:ASP181 3.9 37.0 1.0
CB A:ASP181 4.1 32.6 1.0
HD3 A:ARG225 4.2 31.5 1.0
CA A:ASP181 4.2 25.8 1.0
HA A:PRO182 4.4 30.1 1.0
N A:ASP181 4.4 30.8 1.0
CB A:ASP179 4.4 31.2 1.0
NH1 A:ARG225 4.4 34.4 1.0
OD1 A:ASP174 4.5 27.2 1.0
H A:GLN183 4.5 32.6 1.0
HB3 A:ASP177 4.5 39.2 1.0
CB A:ASP177 4.5 32.6 1.0
O A:HOH1124 4.5 44.1 1.0
CG A:ASP181 4.6 39.6 1.0
HH12 A:ARG225 4.6 41.4 1.0
OD2 A:ASP177 4.6 39.3 1.0
N A:PRO182 4.7 27.3 1.0
HB2 A:ASP179 4.8 37.5 1.0
HB3 A:ASP179 4.8 37.5 1.0
HB2 A:ASP181 4.8 39.2 1.0
O A:HOH779 4.9 43.5 1.0
CA A:PRO182 4.9 25.0 1.0
N A:GLN183 4.9 27.1 1.0
O A:GLN183 4.9 26.9 1.0
OD1 A:ASP181 4.9 31.7 1.0

Calcium binding site 2 out of 3 in 8b4x

Go back to Calcium Binding Sites List in 8b4x
Calcium binding site 2 out of 3 in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca602

b:27.2
occ:1.00
 O A:VAL205 2.3 29.5 1.0
O A:VAL210 2.3 31.7 1.0
OD2 A:ASP115 2.4 32.4 1.0
OD1 A:ASP162 2.4 33.2 1.0
O A:GLY212 2.4 29.5 1.0
OD1 A:ASN208 2.6 29.6 1.0
OD2 A:ASP162 2.6 29.9 1.0
CG A:ASP162 2.9 34.1 1.0
CG A:ASP115 3.5 30.4 1.0
C A:VAL205 3.5 29.9 1.0
C A:VAL210 3.5 34.2 1.0
HD21 A:ASN208 3.5 37.2 1.0
CG A:ASN208 3.6 37.0 1.0
H A:VAL210 3.6 36.4 1.0
C A:GLY212 3.6 30.2 1.0
HB A:VAL210 3.6 38.1 1.0
HA A:ALA206 3.6 36.1 1.0
HB3 A:ASP115 3.7 37.2 1.0
ND2 A:ASN208 3.9 31.0 1.0
HG12 A:VAL213 3.9 31.8 1.0
HA A:VAL213 4.0 30.0 1.0
H A:ASN208 4.0 38.3 1.0
HB2 A:CYS211 4.0 39.9 0.3
N A:GLY212 4.1 29.6 1.0
CB A:ASP115 4.1 30.9 1.0
HB1 A:ALA204 4.2 32.5 1.0
HB3 A:CYS211 4.2 39.4 0.8
H A:GLY212 4.2 35.6 1.0
HB A:VAL205 4.2 37.3 1.0
N A:VAL210 4.2 30.3 1.0
CA A:VAL210 4.3 33.5 1.0
C A:CYS211 4.3 29.6 0.3
C A:CYS211 4.3 29.4 0.8
N A:ALA206 4.3 30.2 1.0
CA A:ALA206 4.3 30.1 1.0
CB A:VAL210 4.3 31.7 1.0
CA A:GLY212 4.4 27.2 1.0
CB A:ASP162 4.4 32.0 1.0
OD1 A:ASP115 4.4 31.3 1.0
HG12 A:VAL210 4.4 45.8 1.0
CA A:VAL205 4.4 26.0 1.0
N A:VAL205 4.5 27.8 1.0
H A:VAL205 4.5 33.5 1.0
H A:ASN207 4.5 36.6 1.0
HG12 A:VAL205 4.5 37.4 1.0
HA2 A:GLY212 4.5 32.7 1.0
N A:CYS211 4.5 29.0 0.3
N A:CYS211 4.6 28.7 0.8
O A:CYS211 4.6 30.6 0.8
O A:CYS211 4.6 30.8 0.3
HB2 A:ASP115 4.6 37.2 1.0
N A:VAL213 4.6 26.3 1.0
O A:HOH871 4.7 28.3 1.0
HA A:ASP162 4.7 39.0 1.0
C A:ALA206 4.7 34.6 1.0
CA A:VAL213 4.7 24.9 1.0
HG13 A:VAL213 4.8 31.8 1.0
CG1 A:VAL213 4.8 26.4 1.0
HD22 A:ASN208 4.8 37.2 1.0
HB2 A:ASP162 4.8 38.5 1.0
CA A:CYS211 4.8 30.4 0.3
N A:ASN208 4.8 31.9 1.0
CB A:VAL205 4.8 31.0 1.0
CA A:CYS211 4.8 30.3 0.8
N A:ASN207 4.8 30.5 1.0
HB3 A:ASP162 4.8 38.5 1.0
HD2 A:PRO116 4.8 43.9 1.0
CB A:CYS211 4.9 33.2 0.3
CB A:ASN208 4.9 38.0 1.0
C A:ALA204 4.9 29.8 1.0
CG1 A:VAL210 5.0 38.1 1.0
CB A:CYS211 5.0 32.8 0.8

Calcium binding site 3 out of 3 in 8b4x

Go back to Calcium Binding Sites List in 8b4x
Calcium binding site 3 out of 3 in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca603

b:19.8
occ:1.00
 OD2 A:ASP301 2.3 20.1 1.0
OD1 A:ASP258 2.4 22.9 1.0
O A:HOH798 2.4 18.1 1.0
O A:HOH903 2.4 20.2 1.0
OE2 A:GLU331 2.4 20.3 1.0
O A:HOH792 2.5 21.1 1.0
OE1 A:GLU331 2.5 20.1 1.0
CD A:GLU331 2.8 21.6 1.0
CG A:ASP301 3.3 20.2 1.0
HA A:ASP258 3.4 24.9 1.0
CG A:ASP258 3.5 26.3 1.0
HA3 A:GLY294 3.7 22.8 1.0
HB3 A:ASP301 3.8 23.4 1.0
HB2 A:ASP306 3.9 21.2 1.0
HA A:CYS303 4.0 21.2 1.0
OD1 A:ASP301 4.0 22.7 1.0
HBV B:OZ35 4.1 24.9 1.0
HBU B:OZ35 4.1 23.8 1.0
CB A:ASP301 4.1 19.4 1.0
HA3 A:GLY296 4.2 24.4 1.0
CA A:ASP258 4.2 20.7 1.0
H A:GLY296 4.2 25.0 1.0
O A:HOH953 4.3 23.3 1.0
CB A:ASP258 4.3 22.3 1.0
CG A:GLU331 4.3 21.4 1.0
OD2 A:ASP258 4.4 22.9 1.0
HB3 A:ASP258 4.4 26.9 1.0
NBU B:OZ35 4.4 19.8 1.0
O A:SER302 4.5 20.8 1.0
OD2 A:ASP306 4.5 21.6 1.0
O A:SER293 4.6 20.1 1.0
HB2 A:ASP301 4.6 23.4 1.0
O A:HOH895 4.6 22.9 1.0
HG2 A:GLU331 4.6 25.7 1.0
CA A:GLY294 4.6 18.9 1.0
O A:GLU257 4.6 22.3 1.0
CB A:ASP306 4.7 17.6 1.0
H A:ASN295 4.7 23.1 1.0
HB3 A:CYS303 4.7 24.5 1.0
HG3 A:GLU331 4.7 25.7 1.0
HA2 A:GLY294 4.7 22.8 1.0
HB3 A:ASP306 4.7 21.2 1.0
CBV B:OZ35 4.8 20.6 1.0
O A:PRO256 4.8 21.2 1.0
N A:GLY296 4.8 20.8 1.0
CA A:CYS303 4.9 17.7 1.0
N A:ASP258 4.9 21.7 1.0
C A:SER302 4.9 19.9 1.0
CA A:GLY296 5.0 20.3 1.0

Reference:

S.O.Dahms, H.Brandstetter. Aminoisoindol-Based Furin Inhibitors To Be Published.
Page generated: Thu Jul 10 03:19:47 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy