Manganese in PDB 3ww4: X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose

The structure of X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose, PDB code: 3ww4 was solved by Y.Terami, H.Yoshida, G.Takata, S.Kamitori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.12 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	76.470, 88.630, 152.180, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.5

The binding sites of Manganese atom in the X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose (pdb code 3ww4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose, PDB code: 3ww4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:37.0 occ:1.00 O2 A:3BU402 2.1 60.1 1.0 NE2 A:HIS106 2.2 28.1 1.0 NE2 A:HIS108 2.2 25.9 1.0 O1 A:3BU402 2.3 58.2 1.0 OE2 A:GLU113 2.4 35.1 1.0 NE2 A:HIS188 2.5 32.6 1.0 C1 A:3BU402 2.7 59.8 1.0 C2 A:3BU402 2.8 60.8 1.0 CD2 A:HIS108 3.1 25.0 1.0 CE1 A:HIS106 3.1 30.3 1.0 CD A:GLU113 3.2 36.7 1.0 CE1 A:HIS188 3.3 31.7 1.0 CD2 A:HIS106 3.3 27.8 1.0 CE1 A:HIS108 3.3 25.5 1.0 OE1 A:GLU113 3.3 38.5 1.0 CD2 A:HIS188 3.6 29.1 1.0 NZ A:LYS111 4.1 33.4 1.0 C3 A:3BU402 4.1 62.0 1.0 O4 A:3BU402 4.1 62.7 1.0 C4 A:3BU402 4.2 63.4 1.0 ND1 A:HIS106 4.3 31.1 1.0 CG A:HIS108 4.3 26.2 1.0 CE A:LYS111 4.3 28.9 1.0 ND1 A:HIS108 4.3 25.1 1.0 CG A:HIS106 4.4 28.6 1.0 ND1 A:HIS188 4.4 32.8 1.0 CG A:GLU113 4.6 34.4 1.0 CG A:HIS188 4.6 30.3 1.0 OE1 A:GLU204 4.9 45.6 1.0 OH A:TYR115 4.9 37.8 1.0 O3 A:3BU402 5.0 61.1 1.0

Manganese binding site 2 out of 2 in the X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Structures of Cellulomonas Parahominis L-Ribose Isomerase with L-Allose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:40.9 occ:1.00 NE2 B:HIS108 2.2 27.1 1.0 OE2 B:GLU113 2.3 37.5 1.0 O2 B:3BU402 2.3 58.4 1.0 NE2 B:HIS106 2.3 28.1 1.0 NE2 B:HIS188 2.5 30.3 1.0 O1 B:3BU402 2.7 56.7 1.0 C1 B:3BU402 2.8 57.6 1.0 CD B:GLU113 3.0 38.6 1.0 C2 B:3BU402 3.0 58.0 1.0 CD2 B:HIS108 3.1 28.8 1.0 OE1 B:GLU113 3.2 36.9 1.0 CE1 B:HIS188 3.2 27.9 1.0 CE1 B:HIS108 3.2 28.1 1.0 CD2 B:HIS106 3.3 30.5 1.0 CE1 B:HIS106 3.3 29.8 1.0 CD2 B:HIS188 3.7 29.3 1.0 O4 B:3BU402 3.8 59.3 1.0 CG B:HIS108 4.3 29.4 1.0 ND1 B:HIS108 4.3 29.2 1.0 C3 B:3BU402 4.3 58.6 1.0 CG B:GLU113 4.4 35.8 1.0 NZ B:LYS111 4.4 28.8 1.0 ND1 B:HIS188 4.4 28.8 1.0 ND1 B:HIS106 4.4 30.3 1.0 CG B:HIS106 4.4 31.4 1.0 C4 B:3BU402 4.4 59.5 1.0 CE B:LYS111 4.4 32.1 1.0 CG B:HIS188 4.7 29.9 1.0 OE1 B:GLU204 4.8 39.4 1.0 OH B:TYR115 4.8 37.0 1.0

Y.Terami, H.Yoshida, K.Uechi, K.Morimoto, G.Takata, S.Kamitori. Essentiality of Tetramer Formation of Cellulomonas Parahominis L-Ribose Isomerase Involved in Novel L-Ribose Metabolic Pathway Appl.Microbiol.Biotechnol. 2015.
ISSN: ESSN 1432-0614
PubMed: 25661811
DOI: 10.1007/S00253-015-6417-4