Atomistry » Sodium » PDB 6hz1-6ic1 » 6hzb
Atomistry »
  Sodium »
    PDB 6hz1-6ic1 »
      6hzb »

Sodium in PDB 6hzb: X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba

Enzymatic activity of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba, PDB code: 6hzb was solved by S.O.Dahms, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.08 / 1.90
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.616, 131.616, 155.565, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 18.2

Other elements in 6hzb:

The structure of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba 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 in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba (pdb code 6hzb). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba, PDB code: 6hzb:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 6hzb

Go back to Sodium Binding Sites List in 6hzb
Sodium binding site 1 out of 3 in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba


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 in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na604

b:20.6
occ:1.00
 O A:THR309 2.3 19.9 1.0
O A:SER311 2.3 18.2 1.0
O A:HOH860 2.4 18.3 1.0
OG1 A:THR314 2.4 19.0 1.0
O A:THR314 2.5 18.7 1.0
C A:THR314 3.3 19.4 1.0
C A:THR309 3.4 21.5 1.0
C A:SER311 3.5 19.9 1.0
CB A:THR314 3.6 19.3 1.0
CA A:THR314 3.8 19.1 1.0
N A:SER311 3.8 19.1 1.0
O A:HOH842 3.8 27.7 1.0
N A:SER316 3.9 18.9 1.0
N A:THR314 3.9 19.6 1.0
CB A:SER316 3.9 20.5 1.0
O A:TYR308 4.0 20.0 1.0
CA A:THR309 4.1 20.7 1.0
CE A:MET534 4.1 19.4 1.0
C A:ASN310 4.1 22.1 1.0
CA A:SER311 4.2 18.1 1.0
N A:LEU315 4.3 18.8 1.0
N A:ASN310 4.3 17.5 1.0
CA A:SER316 4.5 21.3 1.0
O A:SER335 4.5 19.1 1.0
C A:LEU315 4.5 21.6 1.0
N A:ILE312 4.6 17.8 1.0
CA A:ASN310 4.6 19.2 1.0
CA A:LEU315 4.6 20.7 1.0
CB A:SER311 4.6 20.6 1.0
O A:ASN310 4.6 21.2 1.0
CG2 A:THR314 4.7 19.0 1.0
CA A:ILE312 4.7 17.9 1.0
C A:ILE312 4.8 20.6 1.0
C A:TYR308 4.9 20.2 1.0

Sodium binding site 2 out of 3 in 6hzb

Go back to Sodium Binding Sites List in 6hzb
Sodium binding site 2 out of 3 in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba


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 in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na605

b:32.3
occ:1.00
 O A:SER279 2.4 25.0 1.0
O A:HOH815 2.4 26.3 1.0
O A:HOH1065 2.5 37.0 1.0
O A:HOH1076 2.5 35.2 1.0
O A:GLY284 2.5 24.7 1.0
O A:HOH827 3.1 39.2 1.0
C A:SER279 3.4 24.6 1.0
C A:GLY284 3.4 26.5 1.0
CA A:GLY284 3.7 26.9 1.0
CA A:SER279 3.9 24.2 1.0
O A:HOH1043 4.0 32.0 1.0
O A:VAL278 4.3 20.4 1.0
O A:HOH775 4.4 31.3 1.0
O A:HOH1062 4.5 40.5 1.0
O A:HOH1080 4.5 32.1 1.0
N A:GLN280 4.6 24.6 1.0
N A:LEU285 4.7 22.5 1.0
CB A:SER279 4.8 21.2 1.0

Sodium binding site 3 out of 3 in 6hzb

Go back to Sodium Binding Sites List in 6hzb
Sodium binding site 3 out of 3 in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba


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 in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na606

b:33.7
occ:0.50
 O A:SER544 2.2 22.1 1.0
O A:HOH847 2.4 22.6 1.0
C A:SER544 3.2 22.1 1.0
CA A:GLY545 3.9 23.9 1.0
N A:GLY545 3.9 23.9 1.0
CB A:PRO508 4.0 22.4 1.0
CA A:SER544 4.1 20.7 1.0
CB A:SER544 4.2 23.9 1.0
OG A:SER544 4.2 28.1 1.0
N A:SER544 4.5 21.0 1.0
O A:ASP542 4.6 22.4 1.0
CG A:PRO508 4.9 23.2 1.0
OD1 A:ASP542 5.0 24.2 1.0

Reference:

T.Van Lam Van, T.Ivanova, K.Hardes, M.R.Heindl, R.E.Morty, E.Bottcher-Friebertshauser, I.Lindberg, M.E.Than, S.O.Dahms, T.Steinmetzer. Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem V. 14 673 2019.
ISSN: ESSN 1860-7187
PubMed: 30680958
DOI: 10.1002/CMDC.201800807
Page generated: Tue Oct 8 09:29:33 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy