Magnesium in PDB 6pgn: Pagf Single Mutant with Gpp

The structure of Pagf Single Mutant with Gpp, PDB code: 6pgn was solved by S.K.Nair, Y.Hao, P.Estrada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.85
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	116.662, 116.662, 43.681, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 21.6

The binding sites of Magnesium atom in the Pagf Single Mutant with Gpp (pdb code 6pgn). 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 Pagf Single Mutant with Gpp, PDB code: 6pgn:

Magnesium binding site 1 out of 1 in the Pagf Single Mutant with Gpp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pagf Single Mutant with Gpp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.2 occ:1.00 O3B A:GPP402 2.0 22.9 1.0 O1A A:GPP402 2.0 19.7 1.0 O A:HOH512 2.1 21.6 1.0 O A:HOH617 2.1 23.9 1.0 OE1 A:GLU184 2.2 22.8 1.0 O A:HOH505 2.2 18.8 1.0 PA A:GPP402 3.2 21.9 1.0 CD A:GLU184 3.2 22.4 1.0 PB A:GPP402 3.3 23.7 1.0 OE2 A:GLU184 3.5 22.9 1.0 O3A A:GPP402 3.6 22.9 1.0 O A:HOH639 3.8 43.4 1.0 OH A:TYR186 3.9 21.0 1.0 NH2 A:ARG288 3.9 31.1 1.0 O2A A:GPP402 3.9 21.8 1.0 OH A:TYR235 4.0 25.3 1.0 O A:HOH625 4.1 23.0 1.0 O2B A:GPP402 4.2 26.4 1.0 O A:HOH596 4.3 27.0 1.0 O1B A:GPP402 4.3 26.6 1.0 OD1 A:ASN229 4.4 26.8 1.0 O1 A:GPP402 4.5 22.6 1.0 OD2 A:ASP174 4.6 20.0 1.0 CG A:GLU184 4.6 21.5 1.0 NZ A:LYS136 4.8 18.1 1.0 CZ A:TYR186 4.8 21.1 1.0 CB A:GLU184 4.9 20.5 1.0 CE2 A:TYR186 4.9 20.6 1.0 CZ A:ARG288 5.0 29.3 1.0 O A:HOH516 5.0 33.2 1.0 C1 A:GPP402 5.0 23.6 1.0

P.Estrada, M.Morita, Y.Hao, S.K.Nair, E.W.Schmidt. A Single Amino Acid Switch Alters the Isoprene Donor Specificity in Ribosomally Synthesized and Post-Translationally Modified Peptide Prenyltransferases J. Am. Chem. Soc. V. 140 8124 2018.
ISSN: ISSN 0002-7863
PubMed: 29924593
DOI: 10.1021/JACS.8B05187