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Zinc in PDB 3ryj: Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide

Enzymatic activity of Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide

All present enzymatic activity of Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide, PDB code: 3ryj was solved by P.W.Snyder, S.Bai, A.Heroux, G.M.Whitesides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.38 / 1.39
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.554, 41.718, 72.338, 90.00, 104.20, 90.00
R / Rfree (%) 13.1 / 17

Other elements in 3ryj:

The structure of Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide (pdb code 3ryj). 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 Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide, PDB code: 3ryj:

Zinc binding site 1 out of 1 in 3ryj

Go back to Zinc Binding Sites List in 3ryj
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase Complexed with 4-Sulfamoyl-N-(2,2,2- Trifluoroethyl)Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn262

b:12.8
occ:1.00
 O2S B:RYJ1 2.0 12.4 1.0
NE2 B:HIS96 2.0 9.2 1.0
NE2 B:HIS94 2.0 9.1 1.0
ND1 B:HIS119 2.0 10.1 1.0
CE1 B:HIS119 2.9 9.0 1.0
CD2 B:HIS94 3.0 10.4 1.0
N3S B:RYJ1 3.0 7.3 1.0
CD2 B:HIS96 3.0 9.9 1.0
S B:RYJ1 3.0 9.8 1.0
CE1 B:HIS96 3.0 9.8 1.0
CE1 B:HIS94 3.1 9.5 1.0
CG B:HIS119 3.1 8.6 1.0
CB B:HIS119 3.6 8.7 1.0
O B:HOH293 3.7 13.2 1.0
OG1 B:THR199 3.9 9.6 1.0
OE1 B:GLU106 4.0 11.2 1.0
O1S B:RYJ1 4.1 10.5 1.0
NE2 B:HIS119 4.1 9.4 1.0
C4 B:RYJ1 4.1 10.3 1.0
ND1 B:HIS94 4.1 9.4 1.0
CG B:HIS94 4.2 9.3 1.0
CG B:HIS96 4.2 9.6 1.0
ND1 B:HIS96 4.2 10.0 1.0
CD2 B:HIS119 4.2 9.0 1.0
CD B:GLU106 4.9 10.7 1.0
O B:HOH438 4.9 26.8 1.0
C2 B:RYJ1 4.9 11.6 1.0
C6 B:RYJ1 4.9 10.0 1.0

Reference:

J.Mecinovic, P.W.Snyder, K.A.Mirica, S.Bai, E.T.Mack, R.L.Kwant, D.T.Moustakas, A.Heroux, G.M.Whitesides. Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the "Hydrophobic Wall" of Carbonic Anhydrase. J.Am.Chem.Soc. V. 133 14017 2011.
ISSN: ISSN 0002-7863
PubMed: 21790183
DOI: 10.1021/JA2045293
Page generated: Sat Oct 26 15:09:06 2024

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