Nickel »
PDB 4ofo-4rro »
4qsj »
Nickel in PDB 4qsj: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide
Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide
All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide:
4.2.1.1;
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide, PDB code: 4qsj
was solved by
A.Smirnov,
E.Manakova,
S.Grazulis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 27.87 / 1.70 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 56.660, 57.780, 160.077, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.4 / 20.4 |
Other elements in 4qsj:
The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide also contains other interesting chemical elements:
| Chlorine | (Cl) | 3 atoms |
| Zinc | (Zn) | 2 atoms |
Nickel Binding Sites:
The binding sites of Nickel atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide
(pdb code 4qsj). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide, PDB code: 4qsj:
In total only one binding site of Nickel was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide, PDB code: 4qsj:
Nickel binding site 1 out of 1 in 4qsj
Go back to
Nickel Binding Sites List in 4qsj
Nickel binding site 1 out
of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2- Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl) Thio]Acetyl}Benzenesulfonamide within 5.0Å range:
|
Reference:
M.Kisonaite,
A.Zubriene,
E.Capkauskaite,
A.Smirnov,
J.Smirnoviene,
V.Kairys,
V.Michailoviene,
E.Manakova,
S.Grazulis,
D.Matulis.
Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with A Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One V. 9 14106 2014.
ISSN: ESSN 1932-6203
PubMed: 25493428
DOI: 10.1371/JOURNAL.PONE.0114106
Page generated: Wed Oct 9 18:41:01 2024
ISSN: ESSN 1932-6203
PubMed: 25493428
DOI: 10.1371/JOURNAL.PONE.0114106
Last articles
As in 3PNHAs in 3PQS
As in 3PD8
As in 3PB6
As in 3P85
As in 3OUU
As in 3O57
As in 3O56
As in 3NVV
As in 3NSE
