Chlorine in PDB 2pov: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide, PDB code: 2pov was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.60
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	41.930, 41.150, 71.950, 90.00, 104.30, 90.00
*R / R_free (%)*	18.8 / 21.3

Other elements in 2pov:

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide (pdb code 2pov). 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 The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide, PDB code: 2pov:

Chlorine binding site 1 out of 1 in 2pov

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Chlorine Binding Sites List in 2pov

Chlorine binding site 1 out of 1 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with 4-Amino-6-Chloro-Benzene-1,3-Disulfonamide within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1000 b:11.1 occ:1.00	CL1	A:I7B1000	0.0	11.1	1.0
	C4	A:I7B1000	1.7	9.1	1.0
	C5	A:I7B1000	2.7	9.7	1.0
	C3	A:I7B1000	2.7	7.8	1.0
	O3	A:I7B1000	3.2	6.4	1.0
	S2	A:I7B1000	3.2	6.8	1.0
	O4	A:I7B1000	3.4	5.6	1.0
	CG2	A:VAL143	3.6	7.1	1.0
	CD1	A:LEU141	3.7	6.9	1.0
	CG1	A:VAL121	3.7	5.2	1.0
	CG	A:LEU198	3.8	11.2	1.0
	CD1	A:LEU198	3.9	10.8	1.0
	CG2	A:VAL121	3.9	5.8	1.0
	C6	A:I7B1000	4.0	10.8	1.0
	C2	A:I7B1000	4.0	8.5	1.0
	CG2	A:VAL207	4.5	7.4	1.0
	CB	A:VAL121	4.5	6.1	1.0
	C1	A:I7B1000	4.5	10.0	1.0
	CA	A:LEU198	4.6	6.2	1.0
	CB	A:LEU198	4.7	8.2	1.0
	CD2	A:LEU198	4.8	11.9	1.0
	N2	A:I7B1000	4.8	5.6	1.0
	CB	A:VAL143	5.0	5.9	1.0

Reference:

V.Alterio, G.De Simone, S.M.Monti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors: Inhibition of Human, Bacterial, and Archaeal Isozymes with Benzene-1,3-Disulfonamides-Solution and Crystallographic Studies. Bioorg.Med.Chem.Lett. V. 17 4201 2007.
ISSN: ISSN 0960-894X
PubMed: 17540563
DOI: 10.1016/J.BMCL.2007.05.045

Page generated: Sat Jul 20 10:15:21 2024

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