Sodium in PDB 6egz: Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene

The structure of Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene, PDB code: 6egz was solved by V.V.S.Mummidivarapu, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.62 / 2.17
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	147.961, 147.961, 147.961, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.8

The structure of Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene (pdb code 6egz). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene, PDB code: 6egz:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:75.8 occ:1.00 O18 B:B4X202 2.5 76.4 1.0 O1 B:B4X203 2.5 69.5 1.0 O17 B:B4X202 2.6 71.9 1.0 O19 B:B4X202 2.6 88.1 1.0 O16 B:B4X202 2.8 72.6 1.0 O3 B:B4X203 3.2 63.6 1.0 C37 B:B4X202 3.3 81.5 1.0 C35 B:B4X202 3.3 72.1 1.0 C36 B:B4X202 3.3 78.7 1.0 S B:B4X203 3.4 65.8 1.0 C30 B:B4X202 3.5 71.9 1.0 C38 B:B4X202 3.5 92.6 1.0 C31 B:B4X202 3.6 74.5 1.0 C34 B:B4X202 3.6 74.1 1.0 C39 B:B4X202 3.6 94.5 1.0 C29 B:B4X202 3.8 73.1 1.0 C28 B:B4X202 3.8 71.5 1.0 C23 B:B4X203 4.4 66.5 1.0 O2 B:B4X203 4.6 66.0 1.0 O9 B:B4X203 4.9 65.7 1.0 C22 B:B4X203 5.0 63.9 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Cytochrome C in Complex with Di-Pegylated Sulfonatocalix[4]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Na205 b:95.8 occ:1.00 O1 B:B4X204 2.5 92.0 1.0 O36 A:B4X202 2.5 0.8 1.0 O37 A:B4X202 3.1 91.5 1.0 O35 A:B4X202 3.1 91.1 1.0 C74 A:B4X202 3.5 97.0 1.0 C76 A:B4X202 3.5 98.5 1.0 C73 A:B4X202 3.5 97.2 1.0 C77 A:B4X202 3.6 96.0 1.0 S B:B4X204 3.9 88.0 1.0 O2 B:B4X204 4.2 87.6 1.0 O3 B:B4X204 4.8 87.4 1.0 C23 B:B4X204 4.8 90.2 1.0

V.V.S.Mummidivarapu, M.L.Rennie, A.M.Doolan, P.B.Crowley. Noncovalent Pegylation Via Sulfonatocalix[4]Arene-A Crystallographic Proof. Bioconjug.Chem. V. 29 3999 2018.
ISSN: ISSN 1043-1802
PubMed: 30445810
DOI: 10.1021/ACS.BIOCONJCHEM.8B00769