Bromine 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:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	1 atom

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine 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:

Bromine binding site 1 out of 1 in 3m96

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Bromine Binding Sites List in 3m96

Bromine 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 Bromine with other atoms in the Br 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:Br265 b:33.2 occ:1.00	BR14	A:E38265	0.0	33.2	1.0
	C8	A:E38265	1.9	32.3	1.0
	C9	A:E38265	2.7	31.5	1.0
	C7	A:E38265	2.9	33.5	1.0
	CG	A:PRO202	3.9	13.9	1.0
	CG2	A:VAL135	3.9	12.0	1.0
	CE2	A:PHE131	4.0	12.9	1.0
	C4	A:E38265	4.0	33.6	1.0
	CD	A:PRO202	4.0	10.4	1.0
	CG1	A:VAL135	4.1	12.2	1.0
	CD1	A:LEU198	4.2	15.0	1.0
	CD1	A:LEU204	4.2	11.9	1.0
	C6	A:E38265	4.2	33.8	1.0
	CB	A:VAL135	4.3	12.0	1.0
	CZ	A:PHE131	4.3	12.4	1.0
	C5	A:E38265	4.6	33.0	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: Wed Jul 10 19:57:19 2024

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