Calcium in PDB 2e7f: 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution

The structure of 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution, PDB code: 2e7f was solved by T.I.Doukov, C.L.Drennan, H.Hemmi, S.W.Ragsdale, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.88 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.159, 78.547, 135.617, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23

The binding sites of Calcium atom in the 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution (pdb code 2e7f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution, PDB code: 2e7f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3001 b:19.6 occ:1.00 OD1 A:ASP224 2.3 12.8 1.0 O A:GLY222 2.5 8.1 1.0 O A:HOH3053 2.5 19.6 1.0 O A:HOH3210 2.5 20.4 1.0 O A:HOH3059 2.6 11.5 1.0 OD2 A:ASP224 2.6 12.6 1.0 O A:HOH3032 2.6 12.3 1.0 O A:HOH3095 2.6 26.1 1.0 CG A:ASP224 2.8 12.7 1.0 C A:GLY222 3.5 9.3 1.0 CA A:GLY222 4.0 8.9 1.0 CB A:ASP224 4.3 9.9 1.0 O A:HOH3182 4.4 46.4 1.0 O A:HOH3079 4.4 24.6 1.0 N A:ASP224 4.6 8.9 1.0 C A:LEU223 4.7 9.0 1.0 OG1 A:THR193 4.7 8.1 1.0 O A:HOH3080 4.7 18.8 1.0 N A:LEU223 4.7 9.1 1.0 O A:HOH3029 4.8 12.7 1.0 O A:HOH3156 4.8 26.5 1.0 CA A:ASP224 4.8 9.4 1.0 O A:LEU223 4.9 9.6 1.0 O A:HOH3045 4.9 12.9 1.0 O A:PRO191 4.9 11.5 1.0 O A:HOH3009 4.9 16.5 1.0

Calcium binding site 2 out of 2 in the 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 5-Methyltetrahydrofolate Corrinoid/Iron Sulfur Protein Methyltransferase Complexed with Methyltetrahydrofolate to 2.2 Angsrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca4001 b:42.8 occ:1.00 OD1 B:ASP224 2.4 16.5 1.0 O B:GLY222 2.5 14.6 1.0 OD2 B:ASP224 2.8 13.6 1.0 O B:HOH4220 2.8 34.4 1.0 O B:HOH4221 2.9 38.5 1.0 O B:HOH4083 2.9 26.0 1.0 CG B:ASP224 2.9 13.6 1.0 NZ B:LYS184 3.0 36.7 1.0 CD B:LYS184 3.1 36.5 1.0 O B:HOH4184 3.2 43.8 1.0 CE B:LYS184 3.3 37.0 1.0 C B:GLY222 3.6 13.6 1.0 CA B:GLY222 4.0 13.2 1.0 CG B:LYS184 4.1 35.2 1.0 CB B:ASP224 4.3 11.4 1.0 N B:ASP224 4.6 11.3 1.0 OG1 B:THR193 4.6 12.9 1.0 O B:HOH4071 4.7 25.0 1.0 O B:HOH4085 4.7 21.8 1.0 C B:LEU223 4.7 11.5 1.0 N B:LEU223 4.8 13.4 1.0 CA B:ASP224 4.8 10.6 1.0 O B:LEU223 4.9 12.6 1.0 O B:HOH4029 4.9 10.6 1.0

T.I.Doukov, H.Hemmi, C.L.Drennan, S.W.Ragsdale. Structural and Kinetic Evidence For An Extended Hydrogen-Bonding Network in Catalysis of Methyl Group Transfer. Role of An Active Site Asparagine Residue in Activation of Methyl Transfer By Methyltransferases. J.Biol.Chem. V. 282 6609 2007.
ISSN: ISSN 0021-9258
PubMed: 17172470
DOI: 10.1074/JBC.M609828200