Sodium in PDB 7clz: Crystal Structure of ALP1U W187F/Y247F in Complex with Fluostatin C

The structure of Crystal Structure of ALP1U W187F/Y247F in Complex with Fluostatin C, PDB code: 7clz was solved by L.Zhang, B.C.De, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.70 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.664, 100.208, 117.450, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.7

The binding sites of Sodium atom in the Crystal Structure of ALP1U W187F/Y247F in Complex with Fluostatin C (pdb code 7clz). 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 ALP1U W187F/Y247F in Complex with Fluostatin C, PDB code: 7clz:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of ALP1U W187F/Y247F in Complex with Fluostatin C


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 ALP1U W187F/Y247F in Complex with Fluostatin C within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:21.2 occ:1.00 NE A:ARG37 3.2 23.4 1.0 N A:SER45 3.2 20.5 1.0 NH2 A:ARG37 3.5 22.2 1.0 CG A:ARG33 3.6 24.4 1.0 CA A:ARG44 3.8 24.3 1.0 CZ A:ARG37 3.8 24.1 1.0 CB A:ARG33 3.8 27.6 1.0 CA A:ARG33 4.0 19.8 1.0 C A:ARG44 4.0 30.8 1.0 CG A:ARG37 4.1 22.6 1.0 CB A:SER45 4.1 19.5 1.0 CB A:ARG44 4.1 25.9 1.0 CA A:SER45 4.2 19.9 1.0 O A:SER45 4.2 22.9 1.0 O A:ARG33 4.2 28.3 1.0 CD A:ARG37 4.3 22.3 1.0 CD A:ARG33 4.3 32.6 1.0 C A:ARG33 4.6 20.1 1.0 C A:SER45 4.7 28.2 1.0 O A:PHE43 4.8 23.8 1.0 CB A:ALA36 4.9 20.2 1.0 NE A:ARG33 4.9 32.2 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of ALP1U W187F/Y247F in Complex with Fluostatin C


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 ALP1U W187F/Y247F in Complex with Fluostatin C within 5.0Å range: probe atom residue distance (Å) B Occ B:Na401 b:23.5 occ:1.00 NE B:ARG37 3.1 24.6 1.0 N B:SER45 3.2 22.5 1.0 CD B:ARG44 3.4 46.2 1.0 NH2 B:ARG37 3.5 24.9 1.0 CG B:ARG33 3.6 22.4 1.0 CZ B:ARG37 3.7 32.8 1.0 NE B:ARG44 3.8 44.0 1.0 CB B:ARG33 3.8 22.4 1.0 CG B:ARG44 3.8 39.9 1.0 CA B:ARG33 3.9 21.9 1.0 CA B:ARG44 3.9 23.6 1.0 O B:ARG33 3.9 27.3 1.0 CG B:ARG37 3.9 24.2 1.0 CB B:SER45 4.0 21.5 1.0 C B:ARG44 4.1 23.2 1.0 CD B:ARG37 4.1 24.7 1.0 CA B:SER45 4.1 21.9 1.0 O B:SER45 4.2 25.4 1.0 C B:ARG33 4.4 22.2 1.0 CB B:ARG44 4.4 31.8 1.0 CD B:ARG33 4.5 24.9 1.0 CB B:ALA36 4.6 27.1 1.0 C B:SER45 4.7 22.1 1.0 O B:PHE43 4.7 29.9 1.0

L.Zhang, B.C.De, W.Zhang, A.Mandi, Z.Fang, C.Yang, Y.Zhu, T.Kurtan, C.Zhang. Mutation of An Atypical Oxirane Oxyanion Hole Improves Regioselectivity of the Alpha / Beta-Fold Epoxide Hydrolase ALP1U. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33004437
DOI: 10.1074/JBC.RA120.015563