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Zinc in PDB 2fw4: Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine.

Enzymatic activity of Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine.

All present enzymatic activity of Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine.:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine., PDB code: 2fw4 was solved by C.Temperini, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.138, 70.182, 120.573, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 30.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine. (pdb code 2fw4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine., PDB code: 2fw4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2fw4

Go back to Zinc Binding Sites List in 2fw4
Zinc binding site 1 out of 2 in the Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn561

b:13.4
occ:1.00
ND1 A:HIS119 2.0 9.2 1.0
NE2 A:HIS94 2.1 11.5 1.0
O A:HOH562 2.3 4.1 1.0
NE2 A:HIS96 2.3 8.6 1.0
CE1 A:HIS119 2.8 8.6 1.0
CE1 A:HIS94 2.9 11.1 1.0
CD2 A:HIS96 3.0 9.2 1.0
CD2 A:HIS94 3.1 9.3 1.0
CG A:HIS119 3.1 8.9 1.0
CE1 A:HIS96 3.5 7.8 1.0
CB A:HIS119 3.6 7.7 1.0
OG1 A:THR199 3.9 7.3 1.0
NE2 A:HIS119 4.0 9.4 1.0
ND1 A:HIS94 4.1 10.2 1.0
OE1 A:GLU106 4.2 12.6 1.0
CD2 A:HIS119 4.2 5.3 1.0
CG A:HIS94 4.2 8.5 1.0
CG A:HIS96 4.3 6.8 1.0
ND1 A:HIS96 4.5 5.8 1.0
O A:HIS500 4.8 50.5 1.0
O A:HOH566 4.9 10.6 1.0
O A:HOH568 4.9 5.6 1.0
CD2 A:HIS200 4.9 11.4 1.0
CH2 A:TRP209 5.0 9.2 1.0

Zinc binding site 2 out of 2 in 2fw4

Go back to Zinc Binding Sites List in 2fw4
Zinc binding site 2 out of 2 in the Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carbonic Anhydrase Activators. the First X-Ray Crystallographic Study of An Activator of Isoform I, Structure with L-Histidine. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn562

b:13.3
occ:1.00
NE2 B:HIS96 2.0 8.9 1.0
NE2 B:HIS94 2.1 6.0 1.0
ND1 B:HIS119 2.2 7.7 1.0
O B:HOH563 2.4 4.8 1.0
CE1 B:HIS119 3.0 5.9 1.0
CE1 B:HIS94 3.0 4.5 1.0
CD2 B:HIS96 3.0 8.3 1.0
CE1 B:HIS96 3.0 9.7 1.0
CD2 B:HIS94 3.2 4.0 1.0
CG B:HIS119 3.3 7.2 1.0
CB B:HIS119 3.8 8.7 1.0
OG1 B:THR199 3.8 9.7 1.0
ND1 B:HIS96 4.1 11.4 1.0
ND1 B:HIS94 4.1 5.3 1.0
CG B:HIS96 4.2 9.1 1.0
NE2 B:HIS119 4.2 6.8 1.0
CG B:HIS94 4.3 5.2 1.0
OE1 B:GLU106 4.3 11.0 1.0
CD2 B:HIS119 4.3 6.0 1.0
O B:HOH567 4.6 6.6 1.0
O B:HOH581 4.7 15.0 1.0
CH2 B:TRP209 5.0 9.3 1.0

Reference:

C.Temperini, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Activators: the First X-Ray Crystallographic Study of An Adduct of Isoform I. Bioorg.Med.Chem.Lett. V. 16 5152 2006.
ISSN: ISSN 0960-894X
PubMed: 16870440
DOI: 10.1016/J.BMCL.2006.07.021
Page generated: Wed Dec 16 03:28:41 2020

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