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Zinc in PDB 6oe1: Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects

Enzymatic activity of Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects

All present enzymatic activity of Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects:
4.2.1.1;

Protein crystallography data

The structure of Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects, PDB code: 6oe1 was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.98 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.336, 41.447, 72.073, 90.00, 104.32, 90.00
R / Rfree (%) 14.7 / 16.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects (pdb code 6oe1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects, PDB code: 6oe1:

Zinc binding site 1 out of 1 in 6oe1

Go back to Zinc Binding Sites List in 6oe1
Zinc binding site 1 out of 1 in the Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:2.7
occ:1.00
 N20 A:M8V303 1.9 3.8 1.0
NE2 A:HIS96 2.0 2.9 1.0
NE2 A:HIS94 2.0 2.7 1.0
ND1 A:HIS119 2.0 2.7 1.0
CE1 A:HIS119 2.9 2.4 1.0
CD2 A:HIS94 3.0 3.0 1.0
CD2 A:HIS96 3.0 3.2 1.0
CE1 A:HIS96 3.0 3.0 1.0
O21 A:M8V303 3.0 4.7 1.0
S18 A:M8V303 3.0 4.1 1.0
CE1 A:HIS94 3.1 2.9 1.0
CG A:HIS119 3.1 2.6 1.0
CB A:HIS119 3.6 2.7 1.0
OG1 A:THR199 3.9 2.9 1.0
OE1 A:GLU106 4.0 3.5 1.0
O19 A:M8V303 4.1 3.8 1.0
NE2 A:HIS119 4.1 2.5 1.0
CG A:HIS94 4.1 2.9 1.0
CG A:HIS96 4.2 3.0 1.0
ND1 A:HIS94 4.2 2.9 1.0
C17 A:M8V303 4.2 5.0 1.0
ND1 A:HIS96 4.2 3.2 1.0
CD2 A:HIS119 4.2 2.5 1.0
C3 A:GOL302 4.4 8.1 1.0
C16 A:M8V303 4.8 5.3 1.0
CD A:GLU106 4.9 3.6 1.0
C22 A:M8V303 5.0 5.7 1.0
C2 A:GOL302 5.0 7.8 1.0

Reference:

A.Angeli, L.Di Cesare Mannelli, C.Ghelardini, T.S.Peat, G.Bartolucci, M.Menicatti, F.Carta, C.T.Supuran. Benzensulfonamides Bearing Spyrohydantoin Moieties Act As Potent Inhibitors of Human Carbonic Anhydrases II and VII and Show Neuropathic Pain Attenuating Effects. Eur.J.Med.Chem. V. 177 188 2019.
ISSN: ISSN 0223-5234
PubMed: 31136893
DOI: 10.1016/J.EJMECH.2019.05.058
Page generated: Tue Oct 29 04:16:51 2024

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