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Chlorine in PDB 5ipz: Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide, PDB code: 5ipz 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) 43.13 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.694, 256.408, 48.551, 90.00, 117.34, 90.00
R / Rfree (%) 22.5 / 30.6

Other elements in 5ipz:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide (pdb code 5ipz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide, PDB code: 5ipz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5ipz

Go back to Chlorine Binding Sites List in 5ipz
Chlorine binding site 1 out of 3 in the Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:35.6
occ:1.00
 CL1 A:6CC302 0.0 35.6 1.0
C5 A:6CC302 1.8 29.9 1.0
C6 A:6CC302 2.8 32.2 1.0
CD2 A:LEU207 2.8 40.0 1.0
C4 A:6CC302 2.8 35.0 1.0
O10 A:6CC302 3.1 26.6 1.0
O9 A:6CC302 3.1 29.9 1.0
S7 A:6CC302 3.2 30.8 1.0
CG2 A:VAL148 3.4 21.7 1.0
CG2 A:VAL125 3.5 18.7 1.0
CG1 A:VAL125 3.8 19.7 1.0
CG2 A:ILE146 4.0 26.2 1.0
CG A:LEU207 4.1 35.8 1.0
C3 A:6CC302 4.1 35.4 1.0
C2 A:6CC302 4.2 34.4 1.0
CB A:VAL125 4.3 22.6 1.0
CB A:LEU207 4.5 35.5 1.0
CA A:LEU207 4.5 35.7 1.0
CD1 A:LEU207 4.6 35.6 1.0
CG2 A:VAL216 4.6 30.9 1.0
CD1 A:ILE146 4.7 34.3 1.0
C1 A:6CC302 4.7 38.0 1.0
CB A:VAL148 4.9 25.8 1.0
N8 A:6CC302 4.9 26.1 1.0

Chlorine binding site 2 out of 3 in 5ipz

Go back to Chlorine Binding Sites List in 5ipz
Chlorine binding site 2 out of 3 in the Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:38.9
occ:1.00
 CL1 B:6CC302 0.0 38.9 1.0
C5 B:6CC302 1.8 30.2 1.0
C6 B:6CC302 2.7 29.7 1.0
C4 B:6CC302 2.8 33.0 1.0
O9 B:6CC302 3.1 25.9 1.0
S7 B:6CC302 3.2 29.6 1.0
O10 B:6CC302 3.5 24.1 1.0
CD2 B:LEU207 3.6 39.1 1.0
CG1 B:VAL125 3.6 26.7 1.0
CG2 B:VAL125 3.8 28.0 1.0
CG2 B:VAL148 3.9 28.6 1.0
C2 B:6CC302 4.0 31.0 1.0
C3 B:6CC302 4.1 31.0 1.0
CG2 B:ILE146 4.2 29.4 1.0
CD1 B:LEU207 4.3 39.3 1.0
CG B:LEU207 4.3 37.0 1.0
CB B:VAL125 4.4 27.4 1.0
CB B:LEU207 4.5 34.3 1.0
C1 B:6CC302 4.6 36.5 1.0
CG2 B:VAL216 4.7 27.3 1.0
CA B:LEU207 4.8 31.9 1.0
N8 B:6CC302 4.9 30.0 1.0
CD1 B:ILE146 5.0 32.6 1.0

Chlorine binding site 3 out of 3 in 5ipz

Go back to Chlorine Binding Sites List in 5ipz
Chlorine binding site 3 out of 3 in the Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Carbonic Anhydrase Isozyme IV with 5-(2- Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:65.0
occ:1.00
 CL1 C:6CC302 0.0 65.0 1.0
C5 C:6CC302 1.8 63.1 1.0
C4 C:6CC302 2.7 63.9 1.0
C6 C:6CC302 2.8 54.2 1.0
O10 C:6CC302 3.1 37.6 1.0
S7 C:6CC302 3.4 49.4 1.0
CG C:LEU205 3.5 55.7 1.0
CD1 C:LEU205 3.7 55.3 1.0
O9 C:6CC302 3.9 38.3 1.0
C3 C:6CC302 4.0 71.5 1.0
C2 C:6CC302 4.0 62.4 1.0
CB C:LEU205 4.1 52.2 1.0
CG2 C:VAL146 4.1 39.4 1.0
CG2 C:VAL214 4.1 51.4 1.0
CA C:LEU205 4.2 48.0 1.0
CG2 C:ILE144 4.2 48.1 1.0
CG1 C:VAL125 4.4 33.9 1.0
C1 C:6CC302 4.5 70.1 1.0
CD2 C:LEU205 4.8 58.0 1.0
N C:LEU205 4.9 46.0 1.0
CB C:ILE144 5.0 52.0 1.0

Reference:

A.Mickeviciute, D.D.Timm, M.Gedgaudas, V.Linkuviene, Z.Chen, A.Waheed, V.Michailoviene, A.Zubriene, A.Smirnov, E.Capkauskaite, L.Baranauskiene, J.Jachno, J.Revuckiene, E.Manakova, S.Grazulis, J.Matuliene, E.Di Cera, W.S.Sly, D.Matulis. Intrinsic Thermodynamics of High Affinity Inhibitor Binding to Recombinant Human Carbonic Anhydrase IV. Eur. Biophys. J. V. 47 271 2018.
ISSN: ISSN 1432-1017
PubMed: 28975383
DOI: 10.1007/S00249-017-1256-0
Page generated: Sat Jul 12 03:14:28 2025

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