Fluorine in PDB 6h34: The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide.

Enzymatic activity of The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide.

All present enzymatic activity of The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide.:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide., PDB code: 6h34 was solved by M.R.Buemi, A.Di Fiore, L.De Luca, S.Ferro, F.Mancuso, S.M.Monti, M.Buonanno, A.Angeli, E.Russo, G.De Sarro, C.T.Supuran, G.De Simone, R.Gitto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.10 / 1.55
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.320, 41.340, 72.110, 90.00, 104.34, 90.00
*R / R_free (%)*	17.1 / 20.6

Other elements in 6h34:

The structure of The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide. also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide. (pdb code 6h34). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide., PDB code: 6h34:

Fluorine binding site 1 out of 1 in 6h34

Go back to

Fluorine Binding Sites List in 6h34

Fluorine binding site 1 out of 1 in the The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide.

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Human Carbonic Anhydrase II in Complex with 4-[(4-Fluorophenyl)Methyl]-1-Piperazinyl]Benzenesulfonamide. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F302 b:33.5 occ:1.00	F	A:FKK302	0.0	33.5	1.0
	C16	A:FKK302	1.4	31.0	1.0
	C15	A:FKK302	2.3	30.4	1.0
	C17	A:FKK302	2.3	30.1	1.0
	CE1	A:PHE20	3.0	11.4	1.0
	CE1	A:HIS3	3.1	38.3	1.0
	CZ	A:PHE20	3.5	11.1	1.0
	NE2	A:HIS3	3.5	39.2	1.0
	C18	A:FKK302	3.6	29.0	1.0
	C14	A:FKK302	3.6	29.9	1.0
	CB	A:PRO202	3.6	6.3	1.0
	ND1	A:HIS3	3.8	37.0	1.0
	CA	A:PRO202	4.1	6.8	1.0
	C13	A:FKK302	4.1	28.1	1.0
	CD1	A:PHE20	4.1	10.7	1.0
	N	A:PRO202	4.2	6.9	1.0
	CD	A:PRO202	4.2	6.0	1.0
	CG	A:PRO202	4.3	8.3	1.0
	CD2	A:HIS3	4.4	38.0	1.0
	O	A:HOH625	4.5	28.4	1.0
	CG	A:HIS3	4.6	36.6	1.0
	C	A:PRO201	4.8	6.1	1.0
	CE2	A:PHE20	4.8	11.8	1.0
	CB	A:PRO201	4.9	6.2	1.0

Reference:

M.R.Buemi, A.Di Fiore, L.De Luca, A.Angeli, F.Mancuso, S.Ferro, S.M.Monti, M.Buonanno, E.Russo, G.De Sarro, G.De Simone, C.T.Supuran, R.Gitto. Exploring Structural Properties of Potent Human Carbonic Anhydrase Inhibitors Bearing A 4-(Cycloalkylamino-1-Carbonyl)Benzenesulfonamide Moiety. Eur J Med Chem V. 163 443 2018.
ISSN: ISSN 1768-3254
PubMed: 30530195
DOI: 10.1016/J.EJMECH.2018.11.073

Page generated: Tue Jul 15 12:06:27 2025

Last articles

Na in 1P9E
Na in 1P59
Na in 1P4Y
Na in 1P4Z
Na in 1P54
Na in 1P2H
Na in 1P2E
Na in 1P0S
Na in 1OYT
Na in 1OUJ

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy