Rubidium in PDB 4jca: Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273

The structure of Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273, PDB code: 4jca was solved by A.P.Kuzin, S.Lew, S.Rajagopalan, J.Seetharaman, S.Tong, J.K.Everett, T.B.Acton, D.Baker, G.T.Montelione, L.Tong, J.F.Hunt, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 2.41
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	37.870, 66.490, 65.690, 90.00, 102.50, 90.00
R / Rfree (%)	17.8 / 25

The binding sites of Rubidium atom in the Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273 (pdb code 4jca). This binding sites where shown within 5.0 Angstroms radius around Rubidium atom.
In total only one binding site of Rubidium was determined in the Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273, PDB code: 4jca:

Rubidium binding site 1 out of 1 in the Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 1 of Crystal Structure of the Apo Form of the Evolved Variant of the Computationally Designed Serine Hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (Nesg) Target OR273 within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb201 b:81.1 occ:0.50 ND2 A:ASN24 2.9 30.7 1.0 O A:HOH304 3.1 33.2 1.0 CH2 A:TRP116 3.7 26.6 1.0 CZ3 A:TRP116 3.8 28.0 1.0 CG A:ASN24 4.0 30.8 1.0 CB A:ALA31 4.0 36.2 1.0 CB A:ASN24 4.1 29.1 1.0 O A:LYS28 4.6 36.4 1.0 O A:HOH316 4.8 45.4 1.0 CZ2 A:TRP116 4.9 38.5 1.0 N A:ASN24 4.9 31.8 1.0 CD2 A:LEU79 5.0 30.7 1.0 CE3 A:TRP116 5.0 30.3 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