Magnesium in PDB 5wm4: Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate

The structure of Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate, PDB code: 5wm4 was solved by A.P.Sikkema, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.70 / 1.78
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.188, 122.188, 88.174, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 19.6

The binding sites of Magnesium atom in the Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate (pdb code 5wm4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate, PDB code: 5wm4:

Magnesium binding site 1 out of 1 in the Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Cahj in Complex with 6-Methylsalicyl Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:30.1 occ:1.00 O A:VAL476 2.2 27.3 1.0 O A:HIS473 2.4 24.0 1.0 O A:HOH1096 2.4 34.5 1.0 O A:HOH1132 2.5 38.7 1.0 O A:MET471 2.5 23.8 1.0 C A:VAL476 3.3 23.0 1.0 C A:HIS473 3.5 22.1 1.0 C A:MET471 3.6 20.9 1.0 N A:VAL476 3.9 22.6 1.0 CA A:VAL476 4.0 20.5 1.0 CA A:PRO474 4.1 23.6 1.0 C A:ALA472 4.1 21.6 1.0 N A:HIS473 4.1 21.3 1.0 C A:PRO474 4.2 22.1 1.0 N A:PRO474 4.2 21.4 1.0 O A:PRO474 4.2 27.5 1.0 CD A:ARG500 4.3 34.0 1.0 CB A:VAL476 4.3 19.3 1.0 O A:ALA472 4.3 25.4 1.0 N A:HIS477 4.4 23.2 1.0 CA A:HIS473 4.4 21.7 1.0 O A:HOH1019 4.5 31.8 1.0 CA A:ALA472 4.5 19.3 1.0 N A:ALA472 4.5 20.9 1.0 CA A:MET471 4.5 19.6 1.0 O A:HOH918 4.5 31.7 1.0 CA A:HIS477 4.7 24.4 1.0 N A:GLY475 4.8 21.7 1.0 NH2 A:ARG500 4.8 39.1 1.0 O A:HOH1275 4.9 44.3 1.0 CG1 A:VAL476 4.9 20.1 1.0 NE A:ARG500 5.0 42.0 1.0

A.Tripathi, S.R.Park, A.P.Sikkema, H.J.Cho, J.Wu, B.Lee, C.Xi, J.L.Smith, D.H.Sherman. A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme Cahj. Chembiochem V. 19 1595 2018.
ISSN: ESSN 1439-7633
PubMed: 29742306
DOI: 10.1002/CBIC.201800233