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Chlorine in PDB 4aga: Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions

Enzymatic activity of Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions

All present enzymatic activity of Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions:
3.2.1.17;

Protein crystallography data

The structure of Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions, PDB code: 4aga was solved by A.Mukhopadhyay, A.L.Carvalho, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.17 / 1.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.350, 78.350, 36.900, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 21.1

Other elements in 4aga:

The structure of Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions (pdb code 4aga). 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 Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions, PDB code: 4aga:

Chlorine binding site 1 out of 1 in 4aga

Go back to Chlorine Binding Sites List in 4aga
Chlorine binding site 1 out of 1 in the Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl130

b:18.2
occ:1.00
 OH A:TYR23 3.1 15.2 1.0
O A:HOH2044 3.1 15.7 1.0
CZ A:TYR23 3.7 12.8 1.0
CE2 A:TYR23 3.8 12.2 1.0
CA A:GLY104 4.2 13.4 1.0
O A:ARG21 4.5 17.1 1.0
N A:GLY104 4.8 15.3 1.0
CE1 A:TYR23 4.9 13.1 1.0
CD2 A:TYR23 4.9 13.8 1.0

Reference:

M.Kowacz, A.Mukhopadhyay, A.L.Carvalho, J.M.S.S.Esperanca, M.J.Romao, L.P.N.Rebelo. Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions Cryst.Eng.Comm. V. 14 4912 2012.
ISSN: ISSN 1466-8033
DOI: 10.1039/C2CE25129A
Page generated: Fri Jul 11 12:49:11 2025

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