Manganese in PDB 4rb1: Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box

The structure of Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box, PDB code: 4rb1 was solved by Z.Deng, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	159.502, 42.855, 60.547, 90.00, 94.91, 90.00
R / Rfree (%)	22.6 / 24.9

The binding sites of Manganese atom in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box (pdb code 4rb1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box, PDB code: 4rb1:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box


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 Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn200 b:28.4 occ:1.00 NE2 A:HIS90 2.1 39.2 1.0 NE2 A:HIS88 2.1 41.8 1.0 OE1 A:GLU81 2.2 44.2 1.0 NE2 A:HIS33 2.3 63.6 1.0 OE2 A:GLU81 2.3 45.3 1.0 CD A:GLU81 2.5 44.3 1.0 OE1 A:GLU101 2.7 42.0 1.0 CE1 A:HIS90 3.0 39.4 1.0 CE1 A:HIS88 3.1 42.8 1.0 CD2 A:HIS88 3.1 42.2 1.0 CD2 A:HIS33 3.1 63.9 1.0 CD2 A:HIS90 3.2 39.5 1.0 CD A:GLU101 3.4 42.7 1.0 CE1 A:HIS33 3.4 68.4 1.0 OE2 A:GLU101 3.7 42.8 1.0 CG A:GLU81 3.9 43.7 1.0 NE2 A:HIS71 4.1 47.1 1.0 ND1 A:HIS90 4.1 39.5 1.0 ND1 A:HIS88 4.2 43.5 1.0 CG A:HIS90 4.3 39.9 1.0 CD2 A:HIS71 4.3 47.5 1.0 CG A:HIS88 4.3 43.0 1.0 CG A:HIS33 4.4 67.9 1.0 CG A:GLU101 4.4 43.5 1.0 ND1 A:HIS33 4.5 70.6 1.0 CB A:GLU81 4.6 43.6 1.0 CB A:GLU101 4.9 44.2 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box


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 Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:40.4 occ:1.00 NE2 A:HIS125 2.0 39.0 1.0 O A:HOH301 2.1 38.0 1.0 OD1 A:ASP89 2.3 41.4 1.0 NE2 A:HIS87 2.3 44.0 1.0 OD2 A:ASP89 2.6 43.6 1.0 OE2 A:GLU108 2.6 51.8 1.0 CG A:ASP89 2.7 42.5 1.0 CD2 A:HIS125 2.9 38.5 1.0 CE1 A:HIS125 3.0 40.7 1.0 CD2 A:HIS87 3.1 45.3 1.0 OE1 A:GLU108 3.1 51.4 1.0 CD A:GLU108 3.3 53.0 1.0 CE1 A:HIS87 3.3 43.4 1.0 ND1 A:HIS125 4.0 41.1 1.0 CG A:HIS125 4.1 39.9 1.0 CB A:ASP89 4.2 41.8 1.0 CG A:HIS87 4.3 45.1 1.0 ND1 A:HIS87 4.3 44.3 1.0 OE1 A:GLN111 4.4 51.0 1.0 CB A:LEU127 4.7 31.6 1.0 CG A:GLU108 4.7 55.9 1.0 NE2 A:GLN111 4.8 47.4 1.0 N A:ASP89 4.9 42.2 1.0 CA A:ASP89 5.0 41.1 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn200 b:46.1 occ:1.00 OD1 B:ASP89 2.0 39.3 1.0 NE2 B:HIS125 2.1 39.3 1.0 NE2 B:HIS87 2.3 42.3 1.0 O B:HOH301 2.4 26.2 1.0 OE2 B:GLU108 2.4 49.2 1.0 OD2 B:ASP89 2.6 41.4 1.0 CG B:ASP89 2.6 40.5 1.0 CD2 B:HIS125 2.9 38.7 1.0 CE1 B:HIS125 3.2 39.4 1.0 CE1 B:HIS87 3.2 41.4 1.0 CD B:GLU108 3.3 47.4 1.0 CD2 B:HIS87 3.3 43.8 1.0 OE1 B:GLU108 3.4 45.7 1.0 CB B:ASP89 4.1 41.1 1.0 CG B:HIS125 4.2 38.0 1.0 OE1 B:GLN111 4.2 40.4 1.0 O B:HOH302 4.2 22.8 1.0 ND1 B:HIS125 4.2 38.4 1.0 NE2 B:GLN111 4.3 41.3 1.0 ND1 B:HIS87 4.4 42.8 1.0 CG B:HIS87 4.4 43.7 1.0 CB B:LEU127 4.7 49.9 1.0 CD B:GLN111 4.7 40.5 1.0 O B:HIS88 4.7 38.4 1.0 CG B:GLU108 4.7 47.7 1.0 CD2 B:LEU127 4.9 57.3 1.0 CA B:ASP89 5.0 40.2 1.0 C B:HIS88 5.0 39.7 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Magnetospirillum Gryphiswaldense Msr-1 Fur-MN2+- E. Coli Fur Box within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:39.0 occ:1.00 NE2 B:HIS33 2.0 43.4 1.0 NE2 B:HIS88 2.1 38.5 1.0 OE2 B:GLU81 2.3 32.7 1.0 NE2 B:HIS90 2.5 46.9 1.0 OE1 B:GLU81 2.5 31.1 1.0 OE2 B:GLU101 2.5 48.4 1.0 CD B:GLU81 2.7 32.0 1.0 CD2 B:HIS33 2.9 42.3 1.0 CE1 B:HIS33 3.0 43.6 1.0 CD2 B:HIS88 3.1 39.2 1.0 CE1 B:HIS88 3.1 39.4 1.0 CD B:GLU101 3.2 47.3 1.0 CD2 B:HIS90 3.2 46.3 1.0 CE1 B:HIS90 3.6 47.7 1.0 CG B:GLU101 3.8 46.4 1.0 OE1 B:GLU101 3.8 48.4 1.0 CG B:HIS33 4.1 41.1 1.0 ND1 B:HIS33 4.1 42.1 1.0 ND1 B:HIS88 4.2 40.1 1.0 CG B:HIS88 4.2 40.4 1.0 CG B:GLU81 4.2 31.6 1.0 NE2 B:HIS71 4.4 36.8 1.0 CG B:HIS90 4.5 47.0 1.0 ND1 B:HIS90 4.6 47.8 1.0 CB B:GLU101 4.8 46.6 1.0 CB B:GLU81 4.9 32.7 1.0

Z.Deng, Q.Wang, Z.Liu, M.Zhang, A.C.Machado, T.P.Chiu, C.Feng, Q.Zhang, L.Yu, L.Qi, J.Zheng, X.Wang, X.Huo, X.Qi, X.Li, W.Wu, R.Rohs, Y.Li, Z.Chen. Mechanistic Insights Into Metal Ion Activation and Operator Recognition By the Ferric Uptake Regulator. Nat Commun V. 6 7642.
ISSN: ESSN 2041-1723
PubMed: 26134419
DOI: 10.1038/NCOMMS8642