Manganese in PDB 3au8: Crystal Structure of the Ternary Complex of An Isomerase

The structure of Crystal Structure of the Ternary Complex of An Isomerase, PDB code: 3au8 was solved by T.Umeda, N.Tanaka, Y.Kusakabe, M.Nakanishi, Y.Kitade, K.T.Nakamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.383, 58.529, 86.074, 90.00, 117.74, 90.00
R / Rfree (%)	20 / 24.6

The binding sites of Manganese atom in the Crystal Structure of the Ternary Complex of An Isomerase (pdb code 3au8). 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 the Ternary Complex of An Isomerase, PDB code: 3au8:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Ternary Complex of An Isomerase


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 the Ternary Complex of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn601 b:25.4 occ:1.00 OE2 A:GLU315 2.0 27.1 1.0 OD1 A:ASP231 2.1 28.2 1.0 OE1 A:GLU233 2.2 27.9 1.0 O A:HOH660 2.2 28.9 1.0 O A:HOH539 2.2 33.0 1.0 O A:HOH665 2.2 27.7 1.0 CG A:ASP231 2.9 27.3 1.0 CD A:GLU315 3.0 24.4 1.0 CD A:GLU233 3.1 27.2 1.0 OD2 A:ASP231 3.2 29.3 1.0 OE2 A:GLU233 3.4 30.5 1.0 OE1 A:GLU315 3.4 26.1 1.0 OG A:SER232 4.2 27.8 1.0 OD1 A:ASN311 4.3 36.1 1.0 CG A:GLU315 4.3 23.3 1.0 CB A:ASP231 4.3 23.9 1.0 CG A:GLU233 4.5 23.8 1.0 NZ A:LYS312 4.6 29.0 1.0 NZ A:LYS205 4.6 39.0 1.0 N A:GLU233 4.8 21.4 1.0 ND2 A:ASN311 4.8 33.1 1.0 N A:SER232 4.8 22.7 1.0 C5N A:NDP501 4.8 49.9 1.0 CB A:GLU233 4.8 21.1 1.0 CG A:ASN311 5.0 31.6 1.0 CE A:LYS205 5.0 36.8 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Ternary Complex of An Isomerase


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 the Ternary Complex of An Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn602 b:27.2 occ:1.00 OD2 B:ASP231 1.9 30.0 1.0 OE2 B:GLU315 2.0 29.7 1.0 O B:HOH665 2.1 32.3 1.0 O B:HOH671 2.1 29.3 1.0 OE1 B:GLU233 2.2 29.5 1.0 O B:HOH509 2.3 40.3 1.0 CG B:ASP231 2.8 28.8 1.0 OD1 B:ASP231 2.9 36.2 1.0 CD B:GLU315 3.0 29.6 1.0 CD B:GLU233 3.1 28.2 1.0 OE2 B:GLU233 3.3 33.2 1.0 OE1 B:GLU315 3.4 32.6 1.0 O B:HOH675 3.8 80.6 1.0 CB B:ASP231 4.2 25.9 1.0 OG B:SER232 4.2 30.2 1.0 CG B:GLU315 4.3 26.4 1.0 OD1 B:ASN311 4.3 35.0 1.0 NZ B:LYS205 4.4 38.3 1.0 NZ B:LYS312 4.5 27.5 1.0 CG B:GLU233 4.5 24.8 1.0 N B:SER232 4.8 23.7 1.0 ND2 B:ASN311 4.8 34.3 1.0 N B:GLU233 4.8 22.1 1.0 CB B:GLU233 4.9 21.8 1.0 CE B:LYS205 4.9 36.2 1.0 C5N B:NDP502 5.0 56.4 1.0 CG B:ASN311 5.0 32.5 1.0

T.Umeda, N.Tanaka, Y.Kusakabe, M.Nakanishi, Y.Kitade, K.T.Nakamura. Molecular Basis of Fosmidomycin'S Action on the Human Malaria Parasite Plasmodium Falciparum Sci Rep V. 1 9 2011.
ISSN: ESSN 2045-2322
PubMed: 22355528
DOI: 10.1038/SREP00009