Atomistry » Sodium » PDB 8ad0-8b9z » 8b4x
Atomistry »
  Sodium »
    PDB 8ad0-8b9z »
      8b4x »

Sodium 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:

Calcium (Ca) 3 atoms
Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total 4 binding sites of Sodium 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 Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 8b4x

Go back to Sodium Binding Sites List in 8b4x
Sodium binding site 1 out of 4 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 Sodium with other atoms in the Na 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:Na604

b:19.0
occ:1.00
 O A:SER311 2.3 18.5 1.0
O A:THR309 2.3 19.1 1.0
O A:HOH863 2.4 18.2 1.0
OG1 A:THR314 2.4 18.5 1.0
O A:THR314 2.4 18.9 1.0
HG1 A:THR314 2.8 22.3 1.0
HB2 A:SER316 3.1 23.7 1.0
C A:THR314 3.3 19.5 1.0
H A:THR314 3.3 21.0 1.0
C A:THR309 3.4 19.8 1.0
H A:SER316 3.4 23.6 1.0
C A:SER311 3.5 19.1 1.0
CB A:THR314 3.6 18.1 1.0
HA A:THR309 3.7 21.2 1.0
HE1 A:MET534 3.8 24.0 1.0
CA A:THR314 3.8 17.9 1.0
O A:HOH800 3.8 28.9 1.0
H A:SER311 3.8 22.0 1.0
N A:SER311 3.9 18.3 1.0
HE3 A:MET534 3.9 24.0 1.0
N A:SER316 3.9 19.6 1.0
N A:THR314 3.9 17.5 1.0
CB A:SER316 3.9 19.7 1.0
HB3 A:SER316 3.9 23.7 1.0
HE2 A:MET534 4.0 24.0 1.0
HB3 A:SER311 4.0 24.0 1.0
HB A:THR314 4.1 21.8 1.0
CE A:MET534 4.1 19.9 1.0
O A:TYR308 4.2 20.6 1.0
CA A:SER311 4.2 17.7 1.0
CA A:THR309 4.2 17.6 1.0
C A:ASN310 4.2 18.2 1.0
HA A:ILE312 4.2 20.2 1.0
HA A:LEU315 4.3 26.3 1.0
N A:LEU315 4.3 19.1 1.0
N A:ASN310 4.3 18.7 1.0
HB2 A:SER335 4.3 22.5 1.0
HA A:ASN310 4.4 22.8 1.0
CA A:SER316 4.5 17.9 1.0
O A:SER335 4.5 19.5 1.0
C A:LEU315 4.6 22.2 1.0
N A:ILE312 4.6 17.0 1.0
CA A:ASN310 4.6 18.9 1.0
CA A:LEU315 4.6 21.8 1.0
CB A:SER311 4.6 19.9 1.0
HG23 A:THR314 4.7 22.8 1.0
O A:ASN310 4.7 20.9 1.0
CG2 A:THR314 4.7 18.9 1.0
HA A:THR314 4.7 21.6 1.0
CA A:ILE312 4.7 16.8 1.0
C A:ILE312 4.8 19.1 1.0
HA A:SER316 4.8 21.5 1.0
HG21 A:THR314 5.0 22.8 1.0

Sodium binding site 2 out of 4 in 8b4x

Go back to Sodium Binding Sites List in 8b4x
Sodium binding site 2 out of 4 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 Sodium with other atoms in the Na 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:Na605

b:32.1
occ:1.00
 O A:HOH1064 2.3 40.7 1.0
O A:SER279 2.4 25.2 1.0
O A:HOH839 2.4 27.5 1.0
O A:HOH1105 2.4 46.1 1.0
O A:GLY284 2.6 25.6 1.0
HA2 A:GLY284 3.3 31.8 1.0
HA A:SER279 3.4 24.4 1.0
C A:SER279 3.5 25.7 1.0
C A:GLY284 3.5 22.5 1.0
HA3 A:GLY284 3.8 31.8 1.0
CA A:GLY284 3.8 26.5 1.0
CA A:SER279 3.9 20.2 1.0
O A:HOH1068 4.1 35.4 1.0
O A:VAL278 4.3 22.1 1.0
O A:HOH1073 4.4 41.2 1.0
O A:HOH1094 4.4 40.1 1.0
HA A:GLN280 4.4 30.4 1.0
O A:HOH771 4.5 36.6 1.0
HB3 A:SER279 4.5 29.9 1.0
N A:GLN280 4.6 25.1 1.0
N A:LEU285 4.7 21.8 1.0
CB A:SER279 4.8 24.8 1.0
HA A:LEU285 4.9 28.3 1.0

Sodium binding site 3 out of 4 in 8b4x

Go back to Sodium Binding Sites List in 8b4x
Sodium binding site 3 out of 4 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 Sodium with other atoms in the Na 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:Na606

b:26.8
occ:0.32
 O A:SER544 2.1 22.3 1.0
O A:HOH911 2.3 22.9 1.0
C A:SER544 3.1 22.8 1.0
HA3 A:GLY545 3.2 27.9 1.0
HB3 A:SER544 3.3 29.3 1.0
HB3 A:PRO508 3.5 29.5 1.0
HG A:SER544 3.6 37.2 1.0
HB2 A:PRO508 3.6 29.5 1.0
N A:GLY545 3.9 23.4 1.0
CA A:GLY545 3.9 23.2 1.0
CB A:SER544 3.9 24.4 1.0
CA A:SER544 4.0 21.0 1.0
CB A:PRO508 4.0 24.5 1.0
OG A:SER544 4.2 30.9 1.0
HA2 A:GLY545 4.2 27.9 1.0
H A:SER544 4.3 27.6 1.0
N A:SER544 4.3 22.9 1.0
HG2 A:PRO508 4.5 26.6 1.0
HB3 A:ASP542 4.6 25.0 1.0
O A:ASP542 4.6 23.2 1.0
H A:GLY545 4.7 28.1 1.0
HA A:SER544 4.8 25.2 1.0
HB2 A:SER544 4.8 29.3 1.0
CG A:PRO508 4.8 22.1 1.0
OD1 A:ASP542 4.8 22.7 1.0
HG3 A:MET509 4.9 29.7 0.4
CG A:ASP542 5.0 24.8 1.0

Sodium binding site 4 out of 4 in 8b4x

Go back to Sodium Binding Sites List in 8b4x
Sodium binding site 4 out of 4 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 Sodium with other atoms in the Na binding site number 4 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:Na607

b:33.6
occ:0.28
 O A:HOH1022 2.4 37.1 1.0
O A:HOH1057 2.4 37.7 1.0
OE1 A:GLU546 2.5 41.9 1.0
CD A:GLU546 3.8 49.2 1.0
HB3 A:GLU546 3.9 28.8 1.0
O A:HOH855 4.2 40.8 1.0
O A:HOH1122 4.2 37.0 1.0
O A:HOH1085 4.4 43.3 1.0
O A:HOH712 4.5 30.1 1.0
OE2 A:GLU546 4.5 47.3 1.0
O A:HOH1076 4.6 53.4 1.0
CB A:GLU546 4.6 24.0 1.0
O A:HOH884 4.6 30.6 1.0
HB2 A:GLU546 4.6 28.8 1.0
CG A:GLU546 4.8 27.5 1.0

Reference:

S.O.Dahms, H.Brandstetter. Aminoisoindol-Based Furin Inhibitors To Be Published.
Page generated: Wed Oct 9 10:35:32 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