Sodium in PDB 7xtt: The Structure of Engineered Tfcut S130A in Complex with Mhet

All present enzymatic activity of The Structure of Engineered Tfcut S130A in Complex with Mhet:
3.1.1.74;

The structure of The Structure of Engineered Tfcut S130A in Complex with Mhet, PDB code: 7xtt was solved by Y.Yang, P.C.Jiang, J.W.Huang, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.62 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.838, 41.903, 80.868, 90, 92.11, 90
R / Rfree (%)	13.6 / 17.3

The binding sites of Sodium atom in the The Structure of Engineered Tfcut S130A in Complex with Mhet (pdb code 7xtt). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Structure of Engineered Tfcut S130A in Complex with Mhet, PDB code: 7xtt:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Structure of Engineered Tfcut S130A in Complex with Mhet


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Structure of Engineered Tfcut S130A in Complex with Mhet within 5.0Å range: probe atom residue distance (Å) B Occ B:Na405 b:10.9 occ:1.00 O B:HOH659 2.4 9.3 1.0 O B:HOH622 2.4 13.8 1.0 O B:ALA151 2.4 7.5 1.0 O B:ARG150 2.5 9.3 1.0 C B:ALA151 3.1 12.5 1.0 C B:ARG150 3.2 15.0 1.0 N B:ALA151 3.8 7.5 1.0 N B:SER152 3.9 9.4 1.0 CA B:ALA151 3.9 8.7 1.0 CA B:ARG150 4.0 11.8 1.0 CA B:SER152 4.0 8.8 1.0 NE B:ARG156 4.1 11.4 1.0 NH1 B:ARG156 4.2 10.6 1.0 CZ B:ARG156 4.6 16.4 1.0 O B:ASN149 4.7 12.7 1.0 C B:SER152 4.7 10.7 1.0 O B:HOH614 4.9 23.8 1.0 N B:ARG150 4.9 12.8 1.0

Sodium binding site 2 out of 2 in the The Structure of Engineered Tfcut S130A in Complex with Mhet


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Structure of Engineered Tfcut S130A in Complex with Mhet within 5.0Å range: probe atom residue distance (Å) B Occ B:Na406 b:0.1 occ:1.00 O B:ASN230 2.3 6.5 1.0 O B:LEU232 2.4 4.2 1.0 O B:HOH562 2.5 7.5 1.0 C B:LEU232 3.4 7.5 1.0 C B:ASN230 3.5 6.4 1.0 C B:SER231 3.8 7.5 1.0 O B:SER231 3.9 6.5 1.0 CA B:PRO233 4.0 8.1 1.0 N B:PRO233 4.1 6.2 1.0 N B:LEU232 4.1 6.2 1.0 N B:SER234 4.1 7.0 1.0 CA B:SER231 4.2 5.7 1.0 NZ B:LYS238 4.2 6.7 1.0 C B:PRO233 4.2 10.2 1.0 N B:SER231 4.3 5.7 1.0 CA B:LEU232 4.4 6.2 1.0 CA B:ASN230 4.5 5.2 1.0 OG B:SER234 4.6 18.6 1.0 O B:PRO233 5.0 9.1 1.0

Y.Yang, P.C.Jiang, J.-W.Huang, C.-C.Chen, R.-T.Guo. Complete Bio-Degradation of Poly(Butylene Adipate-Co-Terephthalate) Via Engineered Cutinases Nat Commun.
ISSN: ESSN 2041-1723
DOI: HTTPS://DOI.ORG/10.1038/S41467-023-37374-3