Arsenic in PDB 4j8m: Aurora A in Complex with CD532

All present enzymatic activity of Aurora A in Complex with CD532:
2.7.11.1;

The structure of Aurora A in Complex with CD532, PDB code: 4j8m was solved by J.G.Meyerowitz, W.C.Gustafson, K.M.Shokat, W.A.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	83.175, 92.943, 74.542, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.8

The structure of Aurora A in Complex with CD532 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Magnesium	(Mg)	1 atom

The binding sites of Arsenic atom in the Aurora A in Complex with CD532 (pdb code 4j8m). 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 Aurora A in Complex with CD532, PDB code: 4j8m:

Arsenic binding site 1 out of 1 in the Aurora A in Complex with CD532


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Aurora A in Complex with CD532 within 5.0Å range: probe atom residue distance (Å) B Occ A:As247 b:29.3 occ:0.50 AS A:CAF247 0.0 29.3 0.5 O1 A:CAF247 1.6 21.5 0.0 CE2 A:CAF247 1.9 33.6 1.0 CE1 A:CAF247 2.0 68.7 1.0 SG A:CAF247 2.2 29.9 1.0 HE23 A:CAF247 2.5 40.4 1.0 HE22 A:CAF247 2.5 40.4 1.0 HE21 A:CAF247 2.5 40.4 1.0 HE11 A:CAF247 2.5 82.4 1.0 HE12 A:CAF247 2.5 82.4 1.0 HE13 A:CAF247 2.5 82.4 1.0 HB2 A:CAF247 2.9 30.5 1.0 CB A:CAF247 3.1 25.4 1.0 HB3 A:HIS254 3.3 33.7 1.0 HB3 A:CAF247 3.6 30.5 1.0 HD1 A:HIS254 3.7 42.9 1.0 ND1 A:HIS254 3.7 35.8 1.0 CG A:HIS254 3.8 32.7 1.0 CG1 A:VAL252 3.8 35.1 1.0 CB A:HIS254 4.0 28.1 1.0 CB A:VAL252 4.1 36.6 1.0 HB2 A:HIS254 4.2 33.7 1.0 HD23 A:LEU244 4.3 36.1 1.0 CE1 A:HIS254 4.3 36.5 1.0 HA A:CAF247 4.3 33.0 1.0 CA A:CAF247 4.4 27.5 1.0 HD13 A:ILE193 4.4 25.4 1.0 CD2 A:HIS254 4.5 33.0 1.0 O A:VAL252 4.5 39.7 1.0 HG21 A:ILE272 4.5 36.5 1.0 HD11 A:ILE193 4.6 25.4 1.0 CD1 A:PHE275 4.6 31.2 1.0 HD1 A:PHE275 4.6 37.5 1.0 CE1 A:PHE275 4.7 33.3 1.0 HE1 A:HIS254 4.7 43.9 1.0 NE2 A:HIS254 4.7 34.7 1.0 HD13 A:ILE272 4.7 53.0 1.0 HA A:LEU244 4.8 29.0 1.0 HE1 A:PHE275 4.9 40.0 1.0 HB2 A:PHE275 4.9 33.3 1.0 CG A:PHE275 4.9 28.1 1.0 CD1 A:ILE193 4.9 21.2 1.0 CG2 A:VAL252 4.9 40.6 1.0 HD2 A:HIS254 5.0 39.6 1.0 HG12 A:ILE193 5.0 24.7 1.0

W.C.Gustafson, J.G.Meyerowitz, E.A.Nekritz, J.Chen, C.Benes, E.Charron, E.F.Simonds, R.Seeger, K.K.Matthay, N.T.Hertz, M.Eilers, K.M.Shokat, W.A.Weiss. Drugging Mycn Through An Allosteric Transition in Aurora Kinase A. Cancer Cell V. 26 414 2014.
ISSN: ISSN 1535-6108
PubMed: 25175806
DOI: 10.1016/J.CCR.2014.07.015