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Sodium 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:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions, PDB code: 4aga:

Sodium binding site 1 out of 1 in 4aga

Go back to Sodium Binding Sites List in 4aga
Sodium 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 Sodium with other atoms in the Na 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:Na131

b:16.7
occ:1.00
O A:SER60 2.3 14.8 1.0
O A:CYS64 2.4 13.7 1.0
O A:ARG73 2.4 17.6 1.0
O A:HOH2098 2.4 19.6 1.0
O A:HOH2096 2.5 14.6 1.0
OG A:SER72 2.6 18.7 1.0
CB A:SER72 3.3 19.2 1.0
C A:CYS64 3.4 11.1 1.0
C A:ARG73 3.5 17.2 1.0
C A:SER60 3.5 15.5 1.0
CA A:ASN65 3.9 14.1 1.0
N A:ARG73 4.0 18.1 1.0
CA A:SER60 4.0 11.9 1.0
N A:ASN65 4.1 12.9 1.0
C A:SER72 4.2 20.5 1.0
CB A:SER60 4.2 13.5 1.0
CA A:ARG73 4.3 17.7 1.0
N A:ASN74 4.3 16.1 1.0
CA A:SER72 4.4 20.8 1.0
N A:CYS64 4.4 13.5 1.0
O A:HOH2108 4.5 37.5 1.0
C A:ARG61 4.6 17.3 1.0
N A:ARG61 4.6 16.0 1.0
CA A:CYS64 4.6 14.0 1.0
CA A:ASN74 4.6 15.4 1.0
O A:ARG61 4.6 18.4 1.0
N A:ASP66 4.6 12.8 1.0
OD1 A:ASN65 4.6 17.4 1.0
O A:HOH2104 4.7 8.7 1.0
CB A:ASN74 4.7 16.7 1.0
CB A:THR69 4.7 15.0 1.0
O A:SER72 4.7 21.2 1.0
C A:ASN65 4.8 11.8 1.0
CB A:ASN65 4.8 13.2 1.0
CA A:ARG61 4.9 19.6 1.0
N A:TRP62 4.9 16.4 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: Tue Dec 15 06:32:55 2020

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