Sodium in PDB 4yuc: Crystal Structure of Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate

The structure of Crystal Structure of Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate, PDB code: 4yuc was solved by G.Zocher, J.Vilstrup, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.03 / 1.31
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.850, 105.669, 104.918, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 18.7

The binding sites of Sodium atom in the Crystal Structure of Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate (pdb code 4yuc). 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 Crystal Structure of Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate, PDB code: 4yuc:

Sodium binding site 1 out of 1 in the Crystal Structure of Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate


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 Corb Derivatized with S-(2-Acetamidoethyl) 4- Methyl-3-Oxohexanethioate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:22.0 occ:1.00 O A:HOH569 2.2 30.8 1.0 O A:ARG18 2.3 11.9 1.0 OE1 A:GLU68 2.3 12.6 1.0 O A:HOH695 2.5 24.5 1.0 O A:HOH605 2.7 26.1 1.0 O A:HOH682 2.7 19.1 1.0 CD A:GLU68 3.3 11.5 1.0 C A:ARG18 3.5 9.8 1.0 CB A:GLU68 3.9 10.2 1.0 CG A:GLU68 4.1 10.8 1.0 N A:ARG18 4.1 9.2 1.0 O A:HOH674 4.2 21.4 1.0 OE2 A:GLU68 4.2 11.7 1.0 CA A:ARG18 4.3 9.7 1.0 O A:HOH646 4.4 14.0 1.0 N A:TYR19 4.5 8.9 1.0 CA A:TYR19 4.6 8.8 1.0 O A:GLU64 4.6 9.9 1.0 O A:HOH530 4.7 18.8 1.0 CB A:ARG18 4.8 10.9 1.0 O A:HOH594 4.8 21.2 1.0

G.Zocher, J.Vilstrup, D.Heine, A.Hallab, E.Goralski, C.Hertweck, M.Stahl, T.F.Schaberle, T.Stehle. Structural Basis of Head to Head Polyketide Fusion By Corb. Chem Sci V. 6 6525 2015.
ISSN: ISSN 2041-6520
PubMed: 28757960
DOI: 10.1039/C5SC02488A