Sodium in PDB 3v45: Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130

The structure of Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130, PDB code: 3v45 was solved by A.Kuzin, M.Su, J.Seetharaman, M.Maglaqui, R.Xiao, E.Kohan, S.Rajagopalan, J.K.Everett, R.Nair, T.B.Acton, B.Rost, D.Baker, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	30.031, 38.115, 128.114, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.5

The structure of Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 (pdb code 3v45). 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 De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130, PDB code: 3v45:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130


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 De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na169 b:29.1 occ:1.00 O A:ALA31 2.8 47.3 1.0 C A:ALA31 3.5 52.6 1.0 N A:ALA31 3.6 37.5 1.0 CB A:ALA115 3.6 24.8 1.0 CA A:ALA31 3.8 43.8 1.0 CB A:ALA31 3.9 36.9 1.0 CB A:ALA34 4.3 16.7 1.0 C A:GLY30 4.4 47.1 1.0 N A:GLY32 4.5 41.6 1.0 CA A:ALA115 4.8 45.0 1.0 CA A:GLY30 4.9 54.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130


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 De Novo Designed Serine Hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na170 b:29.1 occ:1.00 O A:LEU68 2.8 38.1 1.0 O A:VAL70 2.8 25.2 1.0 O A:GLY66 2.9 46.2 1.0 C A:GLY66 3.8 39.2 1.0 C A:LEU68 3.9 33.2 1.0 C A:VAL70 4.0 37.4 1.0 CB A:ALA65 4.0 25.4 1.0 C A:ALA65 4.1 40.1 1.0 N A:GLY66 4.2 35.8 1.0 C A:ASN67 4.2 43.4 1.0 N A:LEU68 4.2 37.2 1.0 O A:ALA65 4.3 42.7 1.0 O A:ASN67 4.4 44.1 1.0 CA A:ALA65 4.5 34.5 1.0 CA A:LEU68 4.5 29.3 1.0 CA A:ARG71 4.5 18.1 1.0 N A:ASN67 4.5 40.7 1.0 CA A:GLY66 4.5 24.2 1.0 CA A:ASN67 4.6 39.2 1.0 N A:ALA65 4.6 34.0 1.0 N A:VAL70 4.7 36.4 1.0 N A:ARG71 4.7 30.5 1.0 O A:ARG71 4.8 22.6 1.0 CB A:LEU68 4.9 24.2 1.0 C A:PRO69 4.9 39.8 1.0 C A:ARG71 5.0 26.1 1.0 N A:PRO69 5.0 38.6 1.0 CA A:VAL70 5.0 43.1 1.0

S.Rajagopalan, C.Wang, K.Yu, A.P.Kuzin, F.Richter, S.Lew, A.E.Miklos, M.L.Matthews, J.Seetharaman, M.Su, J.F.Hunt, B.F.Cravatt, D.Baker. Design of Activated Serine-Containing Catalytic Triads with Atomic-Level Accuracy. Nat.Chem.Biol. V. 10 386 2014.
ISSN: ISSN 1552-4450
PubMed: 24705591
DOI: 10.1038/NCHEMBIO.1498