Cobalt in PDB 6nnc: Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed

All present enzymatic activity of Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed:
1.5.1.3;

The structure of Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed, PDB code: 6nnc was solved by J.A.Ribeiro, S.M.Chavez-Pacheco, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.16 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.346, 70.718, 72.216, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.4

The binding sites of Cobalt atom in the Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed (pdb code 6nnc). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed, PDB code: 6nnc:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ A:Co202 b:16.6 occ:1.00 NE2 B:HIS157 2.1 16.3 1.0 O A:HOH345 2.1 15.1 1.0 NE2 A:HIS38 2.2 15.1 1.0 O B:HOH391 2.2 16.5 1.0 O A:HOH327 2.2 16.4 1.0 O A:HOH346 2.2 13.8 1.0 CD2 B:HIS157 3.1 15.3 1.0 CE1 B:HIS157 3.1 18.9 1.0 CD2 A:HIS38 3.1 14.5 1.0 CE1 A:HIS38 3.2 19.2 1.0 O A:ILE34 3.8 12.3 1.0 OE2 A:GLU90 3.9 18.4 1.0 OG1 B:THR108 4.0 20.2 1.0 O A:MET36 4.0 13.6 1.0 OE1 A:GLU90 4.1 23.8 1.0 ND1 B:HIS157 4.2 17.4 1.0 CG B:HIS157 4.2 19.4 1.0 O B:ARG158 4.2 22.1 1.0 ND1 A:HIS38 4.3 16.3 1.0 CG A:HIS38 4.3 13.6 1.0 CD A:GLU90 4.4 22.0 1.0 O A:GLU33 4.5 14.2 1.0 O A:HOH378 4.5 20.8 1.0 C A:ILE34 4.7 14.8 1.0 CB B:SER159 4.7 43.5 1.0 C B:ARG158 5.0 33.2 1.0

Cobalt binding site 2 out of 2 in the Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis in Complex with Nadph and Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ B:Co202 b:24.6 occ:1.00 O A:HOH383 2.0 22.5 1.0 O B:HOH395 2.1 23.1 1.0 O B:HOH309 2.1 20.4 1.0 NE2 B:HIS38 2.2 16.8 1.0 O B:HOH335 2.2 21.3 1.0 O B:HOH344 2.3 18.9 1.0 CD2 B:HIS38 3.1 14.3 1.0 CE1 B:HIS38 3.2 17.6 1.0 O B:ILE34 3.7 15.1 1.0 O B:HOH325 3.8 28.3 1.0 OE2 B:GLU90 3.9 23.4 1.0 O B:HOH429 4.0 66.6 1.0 OE1 B:GLU90 4.1 24.7 1.0 O B:MET36 4.2 15.7 1.0 O A:HOH344 4.3 32.3 1.0 ND1 B:HIS38 4.3 16.9 1.0 CD B:GLU90 4.3 24.3 1.0 CG B:HIS38 4.3 13.0 1.0 O A:ARG158 4.4 23.9 1.0 CB A:THR108 4.5 18.1 1.0 O B:GLU33 4.5 17.1 1.0 OG1 A:THR108 4.6 21.3 1.0 CG2 A:THR108 4.6 20.5 1.0 C B:ILE34 4.6 15.1 1.0 CA A:SER159 4.8 24.7 1.0

J.A.Ribeiro, S.M.Chavez-Pacheco, G.S.De Oliveira, C.D.S.Silva, J.H.P.Giudice, G.A.Libreros-Zuniga, M.V.B.Dias. Crystal Structures of the Closed Form of Mycobacterium Tuberculosis Dihydrofolate Reductase in Complex with Dihydrofolate and Antifolates. Acta Crystallogr D Struct V. 75 682 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31282477
DOI: 10.1107/S205979831900901X