Arsenic in PDB 4j9t: Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61

The structure of Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61, PDB code: 4j9t was solved by F.Forouhar, S.Lew, J.Seetharaman, J.H.Mills, S.D.Khare, J.K.Everett, D.Baker, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.02 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.163, 79.677, 83.777, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 16.6

The binding sites of Arsenic atom in the Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61 (pdb code 4j9t). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61, PDB code: 4j9t:

Arsenic binding site 1 out of 1 in the Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of A Putative, De Novo Designed Unnatural Amino Acid Dependent Metalloprotein, Northeast Structural Genomics Consortium Target OR61 within 5.0Å range: probe atom residue distance (Å) B Occ A:As502 b:30.7 occ:0.70 SG A:CYS351 2.4 19.1 1.0 CB A:CYS351 3.2 13.9 1.0 N A:CYS351 3.5 9.2 1.0 CG A:PRO358 3.7 10.8 1.0 CE A:MET349 3.8 14.8 1.0 CG A:MET349 3.8 9.7 1.0 C A:SER350 3.9 7.7 1.0 CA A:CYS351 3.9 10.0 1.0 O A:HOH1121 4.0 41.3 1.0 O A:MET349 4.1 8.3 1.0 O A:HOH747 4.2 38.6 1.0 O A:HOH619 4.2 11.3 1.0 CD A:PRO358 4.3 10.6 1.0 C A:MET349 4.3 7.9 1.0 CA A:SER350 4.3 7.9 1.0 SD A:MET349 4.3 13.1 1.0 CG2 A:VAL359 4.4 12.1 1.0 O A:SER350 4.4 9.4 1.0 CB A:MET349 4.5 8.2 1.0 N A:SER350 4.5 8.0 1.0 CB A:VAL359 4.9 10.8 1.0 CB A:PRO358 4.9 10.6 1.0

J.H.Mills, S.D.Khare, J.M.Bolduc, F.Forouhar, V.K.Mulligan, S.Lew, J.Seetharaman, L.Tong, B.L.Stoddard, D.Baker. Computational Design of An Unnatural Amino Acid Dependent Metalloprotein with Atomic Level Accuracy. J.Am.Chem.Soc. V. 135 13393 2013.
ISSN: ISSN 0002-7863
PubMed: 23924187
DOI: 10.1021/JA403503M