Manganese in PDB 5cet: Crystal Structure of RV2837C

All present enzymatic activity of Crystal Structure of RV2837C:
3.1.3.7;

The structure of Crystal Structure of RV2837C, PDB code: 5cet was solved by F.Wang, Q.He, D.Zhu, S.Liu, L.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.26 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.864, 98.614, 55.143, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.6

The binding sites of Manganese atom in the Crystal Structure of RV2837C (pdb code 5cet). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of RV2837C, PDB code: 5cet:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of RV2837C


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of RV2837C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:24.3 occ:1.00 OD2 A:ASP181 2.1 23.7 1.0 OD2 A:ASP47 2.2 22.9 1.0 O A:HOH1133 2.2 24.9 1.0 NE2 A:HIS131 2.2 21.1 1.0 OD1 A:ASP106 2.2 20.1 1.0 O A:HOH1130 2.6 30.0 1.0 CG A:ASP106 3.0 26.0 1.0 CE1 A:HIS131 3.1 28.9 1.0 CG A:ASP181 3.1 25.8 1.0 CG A:ASP47 3.2 22.6 1.0 OD2 A:ASP106 3.2 23.7 1.0 CD2 A:HIS131 3.3 25.1 1.0 OD1 A:ASP181 3.4 24.6 1.0 CB A:ASP47 3.6 23.0 1.0 MN A:MN1002 3.9 32.1 1.0 OG1 A:THR151 3.9 22.8 1.0 N A:THR151 4.2 22.0 1.0 ND1 A:HIS131 4.2 26.0 1.0 OD1 A:ASP47 4.3 20.4 1.0 CB A:ASP106 4.3 23.0 1.0 CG A:HIS131 4.4 26.6 1.0 CE1 A:HIS132 4.4 26.9 1.0 NE2 A:HIS312 4.4 30.7 1.0 O A:HOH1243 4.4 31.7 1.0 CB A:ASP181 4.5 21.7 1.0 CA A:SER150 4.7 23.0 1.0 CB A:THR151 4.8 21.8 1.0 C A:SER150 4.9 22.8 1.0 CE1 A:HIS312 4.9 32.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of RV2837C


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of RV2837C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1002 b:32.1 occ:1.00 OD2 A:ASP45 1.7 29.6 1.0 OD2 A:ASP106 2.0 23.7 1.0 O A:HOH1243 2.3 31.7 1.0 NE2 A:HIS41 2.4 30.4 1.0 O A:HOH1133 2.4 24.9 1.0 CG A:ASP45 2.5 27.7 1.0 OD1 A:ASP45 2.7 25.1 1.0 CG A:ASP106 3.2 26.0 1.0 CE1 A:HIS41 3.3 33.0 1.0 CD2 A:HIS41 3.3 28.4 1.0 O A:HOH1130 3.6 30.0 1.0 OD1 A:ASP106 3.8 20.1 1.0 MN A:MN1001 3.9 24.3 1.0 CB A:ASP45 4.0 27.7 1.0 CB A:ASP106 4.3 23.0 1.0 ND1 A:HIS41 4.4 27.2 1.0 N A:THR48 4.4 21.4 1.0 CG A:HIS41 4.5 26.9 1.0 CB A:ASP47 4.5 23.0 1.0 CB A:THR48 4.5 23.5 1.0 O A:ASP106 4.6 26.2 1.0 NH2 A:ARG112 4.7 49.2 1.0 CG2 A:THR48 4.8 25.2 1.0 OD1 A:ASP181 4.8 24.6 1.0 OD2 A:ASP47 4.8 22.9 1.0 N A:ASP45 4.9 29.9 1.0 O A:HOH1159 4.9 23.7 1.0 CA A:ASP45 5.0 29.6 1.0

Q.He, F.Wang, S.Liu, D.Zhu, H.Cong, F.Gao, B.Li, H.Wang, Z.Lin, J.Liao, L.Gu. Structural and Biochemical Insight Into the Mechanism of RV2837C From Mycobacterium Tuberculosis As A C-Di-Nmp Phosphodiesterase J.Biol.Chem. V. 291 3668 2016.
ISSN: ESSN 1083-351X
PubMed: 26668313
DOI: 10.1074/JBC.M115.699801