Atomistry » Sodium » PDB 6hz0-6iam » 6i3e
Atomistry »
  Sodium »
    PDB 6hz0-6iam »
      6i3e »

Sodium in PDB 6i3e: Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide, PDB code: 6i3e was solved by S.Gloeckner, K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.18 / 1.07
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.483, 41.487, 71.915, 90.00, 104.22, 90.00
R / Rfree (%) 12.9 / 14.7

Other elements in 6i3e:

The structure of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide also contains other interesting chemical elements:

Mercury (Hg) 2 atoms
Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide (pdb code 6i3e). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide, PDB code: 6i3e:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 6i3e

Go back to Sodium Binding Sites List in 6i3e
Sodium binding site 1 out of 3 in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na304

b:10.7
occ:0.29
OG A:SER73 2.3 16.9 1.0
O A:HOH600 2.4 21.5 1.0
O A:HOH505 2.4 19.3 1.0
HG A:SER73 2.9 20.2 1.0
HB2 A:SER73 3.2 20.0 1.0
CB A:SER73 3.3 16.7 1.0
HG3 A:GLN74 3.4 29.2 0.4
HG3 A:GLN74 3.5 28.9 0.6
HB3 A:SER73 3.8 20.0 1.0
OE1 A:GLN74 4.1 26.0 0.4
O A:SER73 4.3 18.9 1.0
CG A:GLN74 4.3 24.4 0.4
OE1 A:GLN74 4.4 26.0 0.6
C A:SER73 4.4 17.5 1.0
CG A:GLN74 4.4 24.1 0.6
CA A:SER73 4.5 15.9 1.0
OD1 A:ASP71 4.5 14.9 1.0
OD2 A:ASP71 4.5 16.2 1.0
CD A:GLN74 4.6 25.6 0.4
HG2 A:GLN74 4.7 29.2 0.4
CD A:GLN74 4.8 25.2 0.6
HG2 A:GLN74 4.8 28.9 0.6
H A:SER73 4.9 17.6 1.0
CG A:ASP71 4.9 14.1 1.0

Sodium binding site 2 out of 3 in 6i3e

Go back to Sodium Binding Sites List in 6i3e
Sodium binding site 2 out of 3 in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na304

b:10.7
occ:0.29
O A:HOH486 2.4 16.4 1.0
OG A:SER220 2.4 16.3 1.0
O A:HOH547 2.5 16.4 1.0
HG A:SER220 3.0 19.5 1.0
H A:SER220 3.4 13.5 1.0
HB3 A:SER220 3.4 17.9 1.0
CB A:SER220 3.5 14.9 1.0
OE2 A:GLU221 4.0 16.5 1.0
OE1 A:GLU221 4.1 13.3 1.0
N A:SER220 4.1 11.3 1.0
HB2 A:SER220 4.2 17.9 1.0
CA A:SER220 4.4 12.4 1.0
O A:HOH533 4.4 29.6 1.0
CD A:GLU221 4.4 13.9 1.0
HB2 A:SER219 4.5 12.1 1.0
H A:GLU221 4.6 13.4 1.0
O A:HOH511 4.8 37.6 1.0

Sodium binding site 3 out of 3 in 6i3e

Go back to Sodium Binding Sites List in 6i3e
Sodium binding site 3 out of 3 in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:13.9
occ:0.81
O A:THR37 2.3 11.1 0.5
O A:HOH454 2.3 16.2 1.0
O A:HOH592 2.4 16.3 1.0
O A:THR37 2.4 12.8 0.5
OE1 A:GLN255 2.4 16.5 0.5
O A:HOH582 2.5 19.6 0.5
O A:HOH582 2.5 16.5 0.5
O A:HOH568 2.6 12.7 1.0
HG22 A:THR37 2.7 18.0 0.5
CD A:GLN255 3.3 15.3 0.5
HA A:ALA38 3.4 14.8 0.5
C A:THR37 3.5 12.7 0.5
C A:THR37 3.5 10.9 0.5
HG23 A:THR37 3.5 18.0 0.5
HB3 A:GLN255 3.5 13.2 0.5
CG2 A:THR37 3.5 15.0 0.5
H A:LYS39 3.5 12.7 0.5
HE21 A:GLN255 3.6 16.4 0.5
HA A:ALA38 3.6 11.6 0.5
HE22 A:GLN255 3.6 18.5 0.5
HB A:THR37 3.7 15.6 0.5
HG2 A:GLN255 3.8 14.8 0.5
H A:LYS39 3.8 12.7 0.5
HA A:GLN255 3.8 12.8 0.5
NE2 A:GLN255 3.8 15.4 0.5
HB3 A:GLN255 3.9 14.8 0.5
O A:HOH414 3.9 17.0 1.0
H A:ILE256 3.9 9.9 0.5
HB2 A:LYS39 4.0 12.9 1.0
HG21 A:THR37 4.1 18.0 0.5
CA A:ALA38 4.1 12.3 0.5
H A:ILE256 4.1 9.9 0.5
N A:ALA38 4.1 13.3 0.5
NE2 A:GLN255 4.2 13.7 0.5
HA A:GLN255 4.2 12.0 0.5
O A:ILE256 4.2 8.9 1.0
N A:LYS39 4.2 10.5 1.0
CB A:GLN255 4.3 11.0 0.5
CA A:ALA38 4.3 9.7 0.5
N A:ALA38 4.4 9.9 0.5
CG A:GLN255 4.4 12.4 0.5
O A:HOH605 4.4 26.4 1.0
HG1 A:THR37 4.4 16.8 0.5
CB A:GLN255 4.4 12.3 0.5
CA A:THR37 4.4 13.0 0.5
HA A:THR37 4.5 15.6 0.5
CB A:THR37 4.5 13.0 0.5
CG A:GLN255 4.5 13.6 0.5
C A:ALA38 4.5 12.6 0.5
CA A:THR37 4.5 12.7 0.5
CB A:THR37 4.5 13.8 0.5
CA A:GLN255 4.5 10.6 0.5
N A:ILE256 4.6 8.2 1.0
O A:HOH577 4.6 15.7 1.0
HE21 A:GLN255 4.6 18.5 0.5
HE22 A:GLN255 4.6 16.4 0.5
CD A:GLN255 4.6 13.6 0.5
HA A:THR37 4.7 15.2 0.5
CA A:GLN255 4.7 10.0 0.5
CB A:LYS39 4.8 10.8 1.0
HB3 A:LYS39 4.8 12.9 1.0
C A:ALA38 4.8 10.6 0.5
HB A:THR37 4.8 16.5 0.5
H A:ALA38 4.9 16.0 0.5
OG1 A:THR37 4.9 14.0 0.5
C A:GLN255 5.0 9.8 0.5

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide To Be Published.
Page generated: Tue Dec 15 12:23:12 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy