Nickel in PDB 9ecn: M. Acetivorans Mcr Containing A 2-Methylglutamine Modification

All present enzymatic activity of M. Acetivorans Mcr Containing A 2-Methylglutamine Modification:
2.8.4.1;

The structure of M. Acetivorans Mcr Containing A 2-Methylglutamine Modification, PDB code: 9ecn was solved by S.K.Nair, J.Borkar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	109.47, 82.94, 122.47, 90, 93.78, 90
R / Rfree (%)	15.2 / 19.3

The binding sites of Nickel atom in the M. Acetivorans Mcr Containing A 2-Methylglutamine Modification (pdb code 9ecn). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the M. Acetivorans Mcr Containing A 2-Methylglutamine Modification, PDB code: 9ecn:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the M. Acetivorans Mcr Containing A 2-Methylglutamine Modification


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of M. Acetivorans Mcr Containing A 2-Methylglutamine Modification within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1601 b:23.0 occ:1.00 NI A:F431601 0.0 23.0 1.0 OS3 B:SHT2003 1.9 31.3 1.0 OE1 A:GLN1161 2.0 25.8 1.0 NC A:F431601 2.0 21.2 1.0 NA A:F431601 2.1 26.7 1.0 ND A:F431601 2.1 23.2 1.0 NB A:F431601 2.1 23.4 1.0 C1A A:F431601 3.0 24.2 1.0 C1D A:F431601 3.0 23.4 1.0 SG2 B:SHT2003 3.0 39.1 1.0 C1C A:F431601 3.0 21.8 1.0 C4D A:F431601 3.0 23.5 1.0 C4C A:F431601 3.0 22.5 1.0 CD A:GLN1161 3.1 23.6 1.0 C4A A:F431601 3.2 27.4 1.0 C4B A:F431601 3.2 23.2 1.0 C1B A:F431601 3.3 25.0 1.0 CHA A:F431601 3.4 24.6 1.0 CHD A:F431601 3.4 22.8 1.0 OS2 B:SHT2003 3.5 41.9 1.0 CHC A:F431601 3.5 21.8 1.0 OS1 B:SHT2003 3.6 37.8 1.0 NE2 A:GLN1161 3.6 22.6 1.0 CHB A:F431601 3.7 25.2 1.0 N5B A:F431601 3.9 26.0 1.0 OH B:TYR1346 4.1 21.2 1.0 C2D A:F431601 4.3 22.8 1.0 C2C A:F431601 4.3 20.2 1.0 C3D A:F431601 4.3 23.1 1.0 C2A A:F431601 4.4 24.2 1.0 C3C A:F431601 4.4 20.6 1.0 C3B A:F431601 4.4 24.1 1.0 C3A A:F431601 4.4 25.3 1.0 OH D:TYR2365 4.4 25.9 1.0 CG A:GLN1161 4.5 23.3 1.0 C2B A:F431601 4.5 24.1 1.0 CD B:SHT2003 4.5 38.2 1.0 CAB A:F431601 4.8 24.9 1.0 C7D A:F431601 4.9 23.4 1.0 CAA A:F431601 4.9 24.9 1.0 CZ B:TYR1346 4.9 20.3 1.0 C6B A:F431601 4.9 27.9 1.0 CE2 B:TYR1346 4.9 19.4 1.0

Nickel binding site 2 out of 2 in the M. Acetivorans Mcr Containing A 2-Methylglutamine Modification


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of M. Acetivorans Mcr Containing A 2-Methylglutamine Modification within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1602 b:23.5 occ:1.00 NI A:F431602 0.0 23.5 1.0 OE1 B:GLN1161 2.0 25.8 1.0 NC A:F431602 2.0 24.5 1.0 NA A:F431602 2.1 26.1 1.0 ND A:F431602 2.1 23.9 1.0 NB A:F431602 2.1 24.3 1.0 C1D A:F431602 3.0 24.8 1.0 C1A A:F431602 3.0 25.5 1.0 C1C A:F431602 3.0 24.3 1.0 C4C A:F431602 3.0 25.4 1.0 C4D A:F431602 3.1 25.2 1.0 C4A A:F431602 3.1 27.6 1.0 C4B A:F431602 3.1 24.4 1.0 CD B:GLN1161 3.1 23.8 1.0 C1B A:F431602 3.3 25.3 1.0 CHD A:F431602 3.4 25.3 1.0 CHC A:F431602 3.4 24.2 1.0 CHA A:F431602 3.5 25.9 1.0 NE2 B:GLN1161 3.6 22.4 1.0 CHB A:F431602 3.7 25.8 1.0 N5B A:F431602 3.9 25.6 1.0 OH A:TYR1346 4.0 26.3 1.0 C2D A:F431602 4.3 25.4 1.0 C3B A:F431602 4.3 24.8 1.0 C2C A:F431602 4.3 24.3 1.0 C3C A:F431602 4.3 24.8 1.0 C3D A:F431602 4.3 25.2 1.0 C3A A:F431602 4.4 24.8 1.0 C2A A:F431602 4.4 23.9 1.0 C2B A:F431602 4.5 25.0 1.0 CG B:GLN1161 4.5 23.2 1.0 OH C:TYR2365 4.6 28.3 1.0 CAB A:F431602 4.8 24.6 1.0 CZ A:TYR1346 4.8 24.3 1.0 C7D A:F431602 4.9 25.5 1.0 CE2 A:TYR1346 4.9 22.7 1.0 CAA A:F431602 4.9 23.6 1.0 C6B A:F431602 5.0 27.2 1.0

R.J.Rodriguez Carrero, C.T.Lloyd, J.Borkar, S.Nath, L.M.Mirica, S.K.Nair, S.J.Booker, W.Metcalf. Genetic and Biochemical Characterization of A Radical Sam Enzyme Required For Posttranslational Glutamine Methylation of Methyl-Coenzyme M Reductase To Be Published.