Molybdenum in PDB 3k6x: M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel

The structure of M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel, PDB code: 3k6x was solved by S.Chan, I.Chernishof, I.Giuroiu, M.R.Sawaya, J.Chiang, R.P.Gunsalus, M.A.Arbing, L.J.Perry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.74 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.195, 65.587, 94.768, 90.00, 123.95, 90.00
R / Rfree (%)	23.7 / 27.3

The binding sites of Molybdenum atom in the M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel (pdb code 3k6x). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel, PDB code: 3k6x:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo500 b:28.2 occ:1.00 MO A:MOO500 0.0 28.2 1.0 O1 A:MOO500 1.9 26.1 1.0 O2 A:MOO500 1.9 27.9 1.0 O3 A:MOO500 2.1 25.9 1.0 O4 A:MOO500 2.1 31.4 1.0 OD1 A:ASP161 2.3 20.9 1.0 OE1 A:GLU227 2.4 24.1 1.0 CG A:ASP161 3.4 25.3 1.0 CD A:GLU227 3.5 30.6 1.0 OD2 A:ASP161 3.8 28.2 1.0 OE2 A:GLU227 3.9 30.0 1.0 N A:GLY49 4.0 28.8 1.0 CD A:PRO162 4.0 26.7 1.0 OH A:TYR245 4.1 33.4 1.0 CB A:ALA98 4.1 28.7 1.0 CB A:ALA48 4.1 24.8 1.0 OG A:SER78 4.2 25.0 1.0 CE2 A:TYR245 4.3 33.0 1.0 N A:SER78 4.4 27.0 1.0 N A:PRO162 4.4 26.9 1.0 OG A:SER50 4.5 29.3 1.0 N A:SER50 4.5 30.7 1.0 N A:ALA163 4.5 26.0 1.0 CA A:GLY77 4.6 30.6 1.0 CG A:PRO162 4.6 27.6 1.0 CA A:ALA48 4.6 27.7 1.0 CB A:PRO162 4.7 26.4 1.0 CB A:ASP161 4.7 25.1 1.0 CZ A:TYR245 4.7 32.8 1.0 CA A:GLY49 4.7 29.8 1.0 CG A:GLU227 4.7 31.6 1.0 C A:ALA48 4.8 28.3 1.0 CB A:ALA163 4.8 26.7 1.0 CA A:ASP161 4.9 27.7 1.0 O A:ALA76 5.0 34.3 1.0 CB A:SER50 5.0 30.5 1.0

Molybdenum binding site 2 out of 2 in the M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of M. Acetivorans Molybdate-Binding Protein (Moda) in Molybdate-Bound Close Form with 2 Molecules in Asymmetric Unit Forming Beta Barrel within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo500 b:30.1 occ:1.00 MO B:MOO500 0.0 30.1 1.0 O1 B:MOO500 1.9 30.6 1.0 O2 B:MOO500 1.9 30.3 1.0 O3 B:MOO500 2.1 28.5 1.0 O4 B:MOO500 2.1 33.2 1.0 OE1 B:GLU227 2.3 29.8 1.0 OD1 B:ASP161 2.4 27.9 1.0 CD B:GLU227 3.3 34.4 1.0 CG B:ASP161 3.4 30.0 1.0 OD2 B:ASP161 3.7 32.4 1.0 OE2 B:GLU227 3.7 29.7 1.0 N B:GLY49 4.0 32.8 1.0 CB B:ALA98 4.0 28.9 1.0 OH B:TYR245 4.1 34.0 1.0 CB B:ALA48 4.2 28.4 1.0 CD B:PRO162 4.2 30.0 1.0 OG B:SER78 4.2 31.5 1.0 CE2 B:TYR245 4.3 33.5 1.0 N B:SER78 4.4 31.1 1.0 N B:PRO162 4.5 31.0 1.0 OG B:SER50 4.5 32.5 1.0 N B:SER50 4.5 31.7 1.0 CA B:GLY77 4.5 33.3 1.0 N B:ALA163 4.5 31.4 1.0 CA B:ALA48 4.6 30.1 1.0 CG B:GLU227 4.6 37.0 1.0 CB B:PRO162 4.7 29.8 1.0 CG B:PRO162 4.7 30.7 1.0 CA B:GLY49 4.7 32.6 1.0 C B:ALA48 4.7 31.8 1.0 CB B:ASP161 4.7 28.8 1.0 CZ B:TYR245 4.8 34.1 1.0 CB B:ALA163 4.8 32.6 1.0 O B:ALA76 4.8 34.6 1.0 C B:GLY77 5.0 33.3 1.0

S.Chan, I.Giuroiu, I.Chernishof, M.R.Sawaya, J.Chiang, R.P.Gunsalus, M.A.Arbing, L.J.Perry. Apo and Ligand-Bound Structures of Moda From the Archaeon Methanosarcina Acetivorans Acta Crystallogr.,Sect.F V. 66 242 2010.
ISSN: ESSN 1744-3091
PubMed: 20208152
DOI: 10.1107/S1744309109055158