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Zinc 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:

Chlorine (Cl) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5ipz

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Zinc binding site 1 out of 4 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 Zinc with other atoms in the Zn 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:Zn301

b:23.9
occ:1.00
 NE2 A:HIS98 1.9 20.8 1.0
N8 A:6CC302 1.9 26.1 1.0
ND1 A:HIS123 1.9 27.2 1.0
NE2 A:HIS100 2.0 23.8 1.0
CE1 A:HIS123 2.7 28.5 1.0
CD2 A:HIS98 2.8 22.3 1.0
CE1 A:HIS98 3.0 22.0 1.0
CE1 A:HIS100 3.0 21.0 1.0
CD2 A:HIS100 3.0 23.7 1.0
CG A:HIS123 3.1 23.3 1.0
S7 A:6CC302 3.1 30.8 1.0
O9 A:6CC302 3.2 29.9 1.0
CB A:HIS123 3.6 22.8 1.0
NE2 A:HIS123 3.9 24.1 1.0
OG1 A:THR208 4.0 25.5 1.0
CG A:HIS98 4.0 18.9 1.0
OE1 A:GLU110 4.0 24.3 1.0
ND1 A:HIS98 4.0 17.2 1.0
ND1 A:HIS100 4.1 21.5 1.0
CD2 A:HIS123 4.1 23.8 1.0
C6 A:6CC302 4.1 32.2 1.0
C2 A:6CC302 4.1 34.4 1.0
CG A:HIS100 4.2 22.3 1.0
O10 A:6CC302 4.3 26.6 1.0
CD A:GLU110 4.9 22.6 1.0

Zinc binding site 2 out of 4 in 5ipz

Go back to Zinc Binding Sites List in 5ipz
Zinc binding site 2 out of 4 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 Zinc with other atoms in the Zn 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:Zn301

b:26.3
occ:1.00
 N8 B:6CC302 1.6 30.0 1.0
NE2 B:HIS98 1.9 26.6 1.0
NE2 B:HIS100 2.1 24.4 1.0
ND1 B:HIS123 2.1 23.9 1.0
CD2 B:HIS98 2.8 23.4 1.0
CE1 B:HIS123 2.9 22.4 1.0
CE1 B:HIS98 2.9 22.8 1.0
CD2 B:HIS100 2.9 25.3 1.0
S7 B:6CC302 3.0 29.6 1.0
CE1 B:HIS100 3.1 22.7 1.0
CG B:HIS123 3.2 21.8 1.0
O9 B:6CC302 3.3 25.9 1.0
CB B:HIS123 3.7 22.0 1.0
OE1 B:GLU110 3.9 27.4 1.0
OG1 B:THR208 4.0 24.7 1.0
CG B:HIS98 4.0 23.6 1.0
ND1 B:HIS98 4.0 21.6 1.0
C2 B:6CC302 4.0 31.0 1.0
C6 B:6CC302 4.1 29.7 1.0
NE2 B:HIS123 4.1 25.6 1.0
O10 B:6CC302 4.1 24.1 1.0
CG B:HIS100 4.1 24.4 1.0
ND1 B:HIS100 4.2 27.1 1.0
CD2 B:HIS123 4.2 23.2 1.0
CD B:GLU110 4.8 27.8 1.0

Zinc binding site 3 out of 4 in 5ipz

Go back to Zinc Binding Sites List in 5ipz
Zinc binding site 3 out of 4 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 Zinc with other atoms in the Zn 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:Zn301

b:42.1
occ:1.00
 ND1 C:HIS123 1.8 28.7 1.0
NE2 C:HIS98 1.9 41.8 1.0
N8 C:6CC302 1.9 33.8 1.0
NE2 C:HIS100 2.4 29.4 1.0
CE1 C:HIS123 2.6 37.5 1.0
CD2 C:HIS98 2.7 43.5 1.0
O9 C:6CC302 2.8 38.3 1.0
CE1 C:HIS98 2.9 38.5 1.0
S7 C:6CC302 3.0 49.4 1.0
CG C:HIS123 3.0 40.0 1.0
CD2 C:HIS100 3.0 31.1 1.0
CE1 C:HIS100 3.5 33.6 1.0
CB C:HIS123 3.6 39.4 1.0
OE1 C:GLU110 3.8 38.1 1.0
NE2 C:HIS123 3.8 33.5 1.0
CG C:HIS98 3.9 41.5 1.0
OG1 C:THR206 4.0 33.1 1.0
ND1 C:HIS98 4.0 40.8 1.0
CD2 C:HIS123 4.1 36.1 1.0
O10 C:6CC302 4.1 37.6 1.0
C6 C:6CC302 4.2 54.2 1.0
C2 C:6CC302 4.3 62.4 1.0
CG C:HIS100 4.3 32.9 1.0
ND1 C:HIS100 4.5 36.1 1.0
CD C:GLU110 4.8 37.0 1.0

Zinc binding site 4 out of 4 in 5ipz

Go back to Zinc Binding Sites List in 5ipz
Zinc binding site 4 out of 4 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 Zinc with other atoms in the Zn binding site number 4 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
D:Zn301

b:36.8
occ:1.00
 ND1 D:HIS123 2.0 35.2 1.0
NE2 D:HIS98 2.1 46.8 1.0
NE2 D:HIS100 2.3 21.6 1.0
CE1 D:HIS123 2.7 38.1 1.0
CE1 D:HIS98 2.8 48.8 1.0
CD2 D:HIS100 3.1 23.9 1.0
CD2 D:HIS98 3.2 48.0 1.0
CG D:HIS123 3.2 40.9 1.0
CE1 D:HIS100 3.4 24.2 1.0
OG1 D:THR206 3.5 42.5 1.0
OE1 D:GLU110 3.8 49.6 1.0
CB D:HIS123 3.8 38.6 1.0
ND1 D:HIS98 3.9 49.5 1.0
NE2 D:HIS123 3.9 33.8 1.0
CG D:HIS98 4.1 50.2 1.0
CD2 D:HIS123 4.2 31.8 1.0
CG D:HIS100 4.4 26.1 1.0
ND1 D:HIS100 4.4 26.1 1.0
CD D:GLU110 4.8 42.5 1.0
CB D:THR206 4.9 45.3 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: Wed Dec 16 06:22:42 2020

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