Manganese in PDB 5h1w: Crystal Structure of Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose

The structure of Crystal Structure of Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose, PDB code: 5h1w was solved by T.P.Cao, S.M.Shin, D.W.Lee, S.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.51 / 1.63
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.238, 55.411, 59.004, 107.48, 102.14, 91.70
R / Rfree (%)	16.1 / 18.1

The binding sites of Manganese atom in the Crystal Structure of Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose (pdb code 5h1w). 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 Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose, PDB code: 5h1w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose


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 Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:10.4 occ:1.00 OE2 A:GLU149 2.1 11.2 1.0 OD2 A:ASP182 2.1 10.6 1.0 OE1 A:GLU243 2.2 12.2 1.0 ND1 A:HIS208 2.3 10.9 1.0 O2 A:LER301 2.3 12.8 1.0 O1 A:LER301 2.4 12.9 1.0 CD A:GLU149 3.1 11.7 1.0 C2 A:LER301 3.1 15.0 1.0 CE1 A:HIS208 3.2 11.0 1.0 CD A:GLU243 3.2 18.1 1.0 CG A:ASP182 3.2 10.4 1.0 C1 A:LER301 3.3 14.6 1.0 CG A:HIS208 3.3 10.4 1.0 OE1 A:GLU149 3.4 13.4 1.0 OE2 A:GLU243 3.6 25.1 1.0 CB A:HIS208 3.7 9.2 1.0 CB A:ASP182 3.7 9.4 1.0 O A:HOH518 4.2 13.2 1.0 NH2 A:ARG214 4.2 18.3 1.0 OD1 A:ASP182 4.3 12.5 1.0 NE2 A:HIS208 4.3 11.4 1.0 CD2 A:HIS185 4.3 10.0 1.0 CG A:GLU243 4.4 12.6 1.0 CD2 A:HIS208 4.4 9.4 1.0 CG A:GLU149 4.4 7.9 1.0 NE2 A:HIS185 4.5 9.8 1.0 C3 A:LER301 4.6 12.9 1.0 CB A:GLU243 4.6 11.1 1.0 O3 A:LER301 4.9 14.4 1.0 O A:HOH510 5.0 33.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose


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 Hyperthermophilic Thermotoga Maritima L-Ketose-3- Epimerase with MN2+ and L(+)-Erythrulose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:11.7 occ:1.00 OE2 B:GLU149 2.1 11.0 1.0 OD2 B:ASP182 2.1 11.9 1.0 OE1 B:GLU243 2.2 13.7 1.0 ND1 B:HIS208 2.2 11.4 1.0 O2 B:LER301 2.3 12.6 1.0 O1 B:LER301 2.3 13.7 1.0 CD B:GLU149 3.1 12.9 1.0 C2 B:LER301 3.1 13.8 1.0 CE1 B:HIS208 3.1 13.6 1.0 CD B:GLU243 3.2 17.3 1.0 CG B:ASP182 3.2 10.8 1.0 C1 B:LER301 3.2 15.6 1.0 CG B:HIS208 3.3 10.0 1.0 OE1 B:GLU149 3.4 13.3 1.0 OE2 B:GLU243 3.6 23.8 1.0 CB B:HIS208 3.7 11.1 1.0 CB B:ASP182 3.7 8.5 1.0 NH2 B:ARG214 4.2 15.3 1.0 O B:HOH511 4.3 13.7 1.0 NE2 B:HIS208 4.3 12.0 1.0 OD1 B:ASP182 4.3 12.1 1.0 CG B:GLU243 4.4 14.8 1.0 CD2 B:HIS208 4.4 11.0 1.0 CD2 B:HIS185 4.4 10.2 1.0 CG B:GLU149 4.4 10.9 1.0 NE2 B:HIS185 4.5 11.0 1.0 C3 B:LER301 4.6 15.1 1.0 CB B:GLU243 4.6 13.9 1.0 O3 B:LER301 4.9 14.9 1.0

S.M.Shin, T.P.Cao, J.M.Choi, S.B.Kim, S.J.Lee, S.H.Lee, D.W.Lee. TM0416, A Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5AND C6EPIMERIZATION Reactions Appl. Environ. Microbiol. V. 83 2017.
ISSN: ESSN 1098-5336
PubMed: 28258150
DOI: 10.1128/AEM.03291-16