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Zinc in PDB 3rz1: Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase

Enzymatic activity of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase

All present enzymatic activity of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase:
4.2.1.1;

Protein crystallography data

The structure of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase, PDB code: 3rz1 was solved by P.W.Snyder, S.Bai, A.Heroux, G.W.Whitesides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.81 / 1.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.275, 41.682, 72.334, 90.00, 104.66, 90.00
R / Rfree (%) 12.7 / 17.6

Other elements in 3rz1:

The structure of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase also contains other interesting chemical elements:

Fluorine (F) 9 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase (pdb code 3rz1). 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 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase, PDB code: 3rz1:

Zinc binding site 1 out of 1 in 3rz1

Go back to Zinc Binding Sites List in 3rz1
Zinc binding site 1 out of 1 in the Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn262

b:6.0
occ:1.00
 N3S B:RZ11 2.0 5.0 1.0
NE2 B:HIS94 2.0 4.8 1.0
NE2 B:HIS96 2.0 3.9 1.0
ND1 B:HIS119 2.1 4.5 1.0
CD2 B:HIS94 3.0 4.9 1.0
CE1 B:HIS119 3.0 4.6 1.0
O1S B:RZ11 3.0 6.3 1.0
CD2 B:HIS96 3.0 5.1 1.0
CE1 B:HIS94 3.0 5.2 1.0
S B:RZ11 3.1 5.8 1.0
CE1 B:HIS96 3.1 6.2 1.0
CG B:HIS119 3.1 4.2 1.0
CB B:HIS119 3.6 4.9 1.0
O B:HOH280 3.7 8.8 1.0
OG1 B:THR199 3.9 5.9 1.0
OE1 B:GLU106 4.0 6.1 1.0
O2S B:RZ11 4.1 6.1 1.0
ND1 B:HIS94 4.1 5.5 1.0
CG B:HIS94 4.1 4.6 1.0
NE2 B:HIS119 4.1 4.9 1.0
C4 B:RZ11 4.2 6.1 1.0
ND1 B:HIS96 4.2 6.3 1.0
CG B:HIS96 4.2 5.6 1.0
CD2 B:HIS119 4.2 4.6 1.0
O B:HOH420 4.9 22.4 1.0
C2 B:RZ11 4.9 8.0 1.0
CD B:GLU106 4.9 5.6 1.0
C6 B:RZ11 5.0 5.8 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 15:09:52 2024

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