Chlorine in PDB 3m96: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide, PDB code: 3m96 was solved by S.Grazulis, E.Manakova, D.Golovenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.47 / 1.40
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.050, 40.921, 71.468, 90.00, 104.14, 90.00
*R / R_free (%)*	17.6 / 21.3

Other elements in 3m96:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Zinc	(Zn)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide (pdb code 3m96). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide, PDB code: 3m96:

Chlorine binding site 1 out of 1 in 3m96

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Chlorine Binding Sites List in 3m96

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-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 II with 5-{[(5- Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2- Chlorobenzenesulfonamide within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl265 b:13.2 occ:1.00	CL23	A:E38265	0.0	13.2	1.0
	C18	A:E38265	1.7	11.6	1.0
	C19	A:E38265	2.6	12.0	1.0
	C17	A:E38265	2.7	9.5	1.0
	O24	A:E38265	3.1	7.9	1.0
	S21	A:E38265	3.2	8.6	1.0
	O22	A:E38265	3.3	9.1	1.0
	CG2	A:VAL143	3.4	9.4	1.0
	CD2	A:LEU198	3.5	13.8	1.0
	CD1	A:LEU141	3.6	9.2	1.0
	C20	A:E38265	3.9	14.4	1.0
	CG1	A:VAL121	3.9	9.7	1.0
	C16	A:E38265	3.9	10.4	1.0
	CG2	A:VAL121	4.0	7.9	1.0
	CG2	A:VAL207	4.3	9.6	1.0
	C15	A:E38265	4.5	14.4	1.0
	CG	A:LEU198	4.6	15.0	1.0
	CB	A:VAL121	4.6	8.2	1.0
	CA	A:LEU198	4.6	7.1	1.0
	CB	A:VAL143	4.8	8.1	1.0
	N25	A:E38265	4.8	6.4	1.0
	CB	A:LEU198	4.9	9.0	1.0

Reference:

L.Baranauskiene, D.Golovenko, E.Manakova, S.Grazulis, S.Tumkevicius, D.Matulis. Indapamide-Like Benzenesulfonamides As Inhibitors of Carbonic Anhydrases I, II, VII, and XIII. Bioorg.Med.Chem. V. 18 7357 2010.
ISSN: ISSN 0968-0896
PubMed: 20926301
DOI: 10.1016/J.BMC.2010.09.016

Page generated: Sat Dec 12 09:54:36 2020

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