Atomistry » Zinc » PDB 5fib-5fpf » 5fl5
Atomistry »
  Zinc »
    PDB 5fib-5fpf »
      5fl5 »

Zinc in PDB 5fl5: Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide

Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide

All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide, PDB code: 5fl5 was solved by J.Leitans, K.Tars, R.Zalubovskis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.10 / 2.05
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 152.380, 152.380, 170.590, 90.00, 90.00, 120.00
R / Rfree (%) 15.8 / 19.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide (pdb code 5fl5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide, PDB code: 5fl5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5fl5

Go back to Zinc Binding Sites List in 5fl5
Zinc binding site 1 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1260

b:15.2
occ:1.00
 N1 A:82E266 2.0 19.1 1.0
NE2 A:HIS96 2.1 13.4 1.0
NE2 A:HIS94 2.1 14.8 1.0
ND1 A:HIS119 2.1 13.6 1.0
CE1 A:HIS119 3.0 13.8 1.0
O5 A:82E266 3.0 19.5 1.0
S2 A:82E266 3.0 20.0 1.0
CD2 A:HIS94 3.0 15.0 1.0
CD2 A:HIS96 3.1 13.5 1.0
CE1 A:HIS96 3.1 14.5 1.0
CE1 A:HIS94 3.2 15.1 1.0
CG A:HIS119 3.2 13.7 1.0
CB A:HIS119 3.6 13.5 1.0
OE1 A:GLU106 3.8 18.6 1.0
OG1 A:THR200 3.9 15.4 1.0
O6 A:82E266 4.0 19.1 1.0
NE2 A:HIS119 4.2 14.5 1.0
C7 A:82E266 4.2 21.3 1.0
CG A:HIS94 4.2 14.6 1.0
ND1 A:HIS96 4.2 14.0 1.0
CG A:HIS96 4.2 13.9 1.0
ND1 A:HIS94 4.3 15.0 1.0
CD2 A:HIS119 4.3 14.0 1.0
O1 A:GOL1261 4.7 52.2 1.0
CD A:GLU106 4.8 19.0 1.0
CH2 A:TRP210 4.9 15.0 1.0
C8 A:82E266 4.9 22.2 1.0

Zinc binding site 2 out of 4 in 5fl5

Go back to Zinc Binding Sites List in 5fl5
Zinc binding site 2 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1260

b:16.9
occ:1.00
 N1 B:82E267 2.0 19.6 1.0
NE2 B:HIS94 2.1 16.1 1.0
NE2 B:HIS96 2.1 17.6 1.0
ND1 B:HIS119 2.2 15.6 1.0
CD2 B:HIS94 2.9 16.8 1.0
S2 B:82E267 3.0 20.8 1.0
O5 B:82E267 3.0 17.9 1.0
CD2 B:HIS96 3.1 18.0 1.0
CE1 B:HIS119 3.1 16.0 1.0
CE1 B:HIS96 3.1 17.9 1.0
CE1 B:HIS94 3.2 16.6 1.0
CG B:HIS119 3.3 16.1 1.0
CB B:HIS119 3.6 15.5 1.0
OE1 B:GLU106 3.8 20.0 1.0
OG1 B:THR200 3.9 15.7 1.0
O6 B:82E267 4.1 18.5 1.0
CG B:HIS94 4.1 16.6 1.0
C7 B:82E267 4.1 22.7 1.0
ND1 B:HIS94 4.2 16.7 1.0
CG B:HIS96 4.2 17.9 1.0
NE2 B:HIS119 4.2 15.8 1.0
ND1 B:HIS96 4.2 18.2 1.0
CD2 B:HIS119 4.3 15.1 1.0
CH2 B:TRP210 4.8 14.6 1.0
C1 B:GOL1261 4.8 50.3 1.0
CD B:GLU106 4.9 17.9 1.0
C8 B:82E267 4.9 23.5 1.0

Zinc binding site 3 out of 4 in 5fl5

Go back to Zinc Binding Sites List in 5fl5
Zinc binding site 3 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1260

b:20.7
occ:1.00
 NE2 C:HIS94 2.1 18.1 1.0
N1 C:82E265 2.1 23.4 1.0
ND1 C:HIS119 2.2 21.8 1.0
NE2 C:HIS96 2.2 23.2 1.0
O6 C:82E265 2.9 22.7 1.0
CD2 C:HIS94 2.9 19.2 1.0
S2 C:82E265 3.0 22.4 1.0
CE1 C:HIS119 3.1 21.2 1.0
CE1 C:HIS94 3.1 18.7 1.0
CD2 C:HIS96 3.1 22.3 1.0
CE1 C:HIS96 3.2 23.1 1.0
CG C:HIS119 3.2 20.6 1.0
CB C:HIS119 3.6 20.4 1.0
OE1 C:GLU106 3.9 25.6 1.0
O5 C:82E265 4.0 22.2 1.0
OG1 C:THR200 4.0 20.2 1.0
CG C:HIS94 4.1 18.6 1.0
ND1 C:HIS94 4.2 18.3 1.0
C7 C:82E265 4.2 24.7 1.0
NE2 C:HIS119 4.2 21.9 1.0
CG C:HIS96 4.3 23.1 1.0
ND1 C:HIS96 4.3 23.3 1.0
CD2 C:HIS119 4.3 20.9 1.0
CH2 C:TRP210 4.9 17.7 1.0
C8 C:82E265 4.9 25.2 1.0
CD C:GLU106 5.0 27.0 1.0

Zinc binding site 4 out of 4 in 5fl5

Go back to Zinc Binding Sites List in 5fl5
Zinc binding site 4 out of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Three Dimensional Structure of Human Carbonic Anhydrase IX in Complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-Triazol-4-Yl)Thiophene-2- Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1260

b:20.0
occ:1.00
 N1 D:82E269 2.0 20.8 1.0
ND1 D:HIS119 2.1 18.6 1.0
NE2 D:HIS96 2.1 18.5 1.0
NE2 D:HIS94 2.1 18.5 1.0
CE1 D:HIS119 2.9 18.7 1.0
O5 D:82E269 2.9 18.8 1.0
CD2 D:HIS94 3.0 18.5 1.0
S2 D:82E269 3.0 20.3 1.0
CE1 D:HIS96 3.1 18.4 1.0
CD2 D:HIS96 3.1 18.6 1.0
CE1 D:HIS94 3.2 18.9 1.0
CG D:HIS119 3.2 18.3 1.0
CB D:HIS119 3.7 17.5 1.0
OE1 D:GLU106 3.8 21.8 1.0
OG1 D:THR200 4.0 20.6 1.0
O6 D:82E269 4.1 19.9 1.0
NE2 D:HIS119 4.1 18.0 1.0
C7 D:82E269 4.2 22.2 1.0
CG D:HIS94 4.2 18.6 1.0
ND1 D:HIS96 4.2 19.7 1.0
CG D:HIS96 4.2 19.4 1.0
ND1 D:HIS94 4.3 19.3 1.0
CD2 D:HIS119 4.3 18.2 1.0
CD D:GLU106 4.8 22.1 1.0
CH2 D:TRP210 4.9 16.9 1.0
C8 D:82E269 4.9 22.2 1.0

Reference:

J.Leitans, A.Kazaks, A.Balode, J.Ivanova, R.Zalubovskis, C.T.Supuran, K.Tars. An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform IX. J.Med.Chem. V. 58 9004 2015.
ISSN: ISSN 0022-2623
PubMed: 26522624
DOI: 10.1021/ACS.JMEDCHEM.5B01343
Page generated: Sun Oct 27 16:16:42 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy