Sodium in PDB 4etk: Crystal Structure of E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186

The structure of Crystal Structure of E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186, PDB code: 4etk was solved by A.Kuzin, M.Su, J.Seetharaman, K.Kornhaber, G.Kornhaber, S.Rajagopalan, D.Baker, J.K.Everett, T.B.Acton, 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)	38.71 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.196, 133.661, 29.937, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 25.4

The binding sites of Sodium atom in the Crystal Structure of E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186 (pdb code 4etk). 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 E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186, PDB code: 4etk:

Sodium binding site 1 out of 1 in the Crystal Structure of E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186


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 E6A/L130D/A155H Variant of De Novo Designed Serine Hydrolase, Northeast Structural Genomics Consortium (Nesg) Target OR186 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:18.7 occ:1.00 N A:THR111 2.9 0.3 1.0 O A:VAL20 3.1 9.3 1.0 CA A:PHE110 3.5 18.1 1.0 CB A:PHE110 3.6 4.5 1.0 C A:PHE110 3.7 19.1 1.0 O A:THR111 3.8 8.5 1.0 C A:VAL20 3.9 16.9 1.0 CD2 A:PHE110 3.9 2.5 1.0 CG1 A:VAL20 3.9 8.2 1.0 CA A:THR111 4.0 9.9 1.0 CB A:VAL20 4.0 10.6 1.0 CE A:MSE129 4.1 5.8 1.0 CG A:PHE110 4.1 7.9 1.0 CB A:THR111 4.2 30.4 1.0 C A:THR111 4.4 8.0 1.0 N A:ALA22 4.4 11.4 1.0 CA A:VAL20 4.5 17.9 1.0 OG1 A:THR111 4.7 29.4 1.0 N A:ASN21 4.7 39.5 1.0 O A:PHE110 4.9 16.9 1.0 N A:PHE110 4.9 16.5 1.0 CA A:ASN21 4.9 37.1 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