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 / R_free (%)*	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

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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

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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

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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: Fri Jul 26 09:31:10 2024

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