Iron in PDB 2xmo: The Crystal Structure of LMO2642

The structure of The Crystal Structure of LMO2642, PDB code: 2xmo was solved by J.H.Jeong, Y.G.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.963, 103.267, 73.765, 90.00, 102.80, 90.00
R / Rfree (%)	21.18 / 24.25

The structure of The Crystal Structure of LMO2642 also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Iron atom in the The Crystal Structure of LMO2642 (pdb code 2xmo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of LMO2642, PDB code: 2xmo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of LMO2642


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of LMO2642 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe556 b:13.6 occ:1.00 O A:HOH2284 2.1 13.8 1.0 OD1 A:ASN134 2.1 11.7 1.0 O1 A:PO41444 2.2 18.1 1.0 ND1 A:HIS281 2.2 13.1 1.0 NE2 A:HIS243 2.3 12.4 1.0 OD2 A:ASP101 2.3 9.3 1.0 CE1 A:HIS281 2.9 13.9 1.0 CG A:ASN134 3.1 12.5 1.0 CE1 A:HIS243 3.2 13.6 1.0 CG A:ASP101 3.2 12.9 1.0 CD2 A:HIS243 3.3 12.5 1.0 MN A:MN555 3.3 13.1 1.0 P A:PO41444 3.4 16.5 1.0 CG A:HIS281 3.4 11.7 1.0 ND2 A:ASN134 3.5 15.3 1.0 O2 A:PO41444 3.6 16.5 1.0 OD1 A:ASP101 3.6 10.7 1.0 CA A:HIS281 3.8 11.9 1.0 OD2 A:ASP47 3.9 13.9 1.0 O4 A:PO41444 4.0 19.1 1.0 CB A:HIS281 4.0 10.7 1.0 O A:HIS281 4.1 12.5 1.0 NE2 A:HIS281 4.1 12.1 1.0 ND1 A:HIS243 4.3 13.7 1.0 CD2 A:HIS281 4.4 12.4 1.0 CG A:HIS243 4.4 12.6 1.0 N A:ASN134 4.4 9.6 1.0 CD2 A:HIS135 4.4 15.5 1.0 CB A:ASP101 4.4 10.2 1.0 C A:HIS281 4.4 13.0 1.0 CB A:ASN134 4.5 10.3 1.0 O3 A:PO41444 4.6 16.2 1.0 N A:HIS281 4.8 11.7 1.0 NE2 A:HIS283 4.9 13.2 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of LMO2642


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of LMO2642 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe556 b:14.9 occ:1.00 O B:HOH2240 2.0 13.7 1.0 OD1 B:ASN134 2.1 13.3 1.0 NE2 B:HIS243 2.2 12.8 1.0 O1 B:PO41444 2.3 17.4 1.0 OD2 B:ASP101 2.3 11.8 1.0 ND1 B:HIS281 2.3 11.9 1.0 CE1 B:HIS281 3.0 12.7 1.0 CE1 B:HIS243 3.1 12.5 1.0 CG B:ASN134 3.2 14.3 1.0 CG B:ASP101 3.2 12.5 1.0 CD2 B:HIS243 3.3 13.5 1.0 MN B:MN555 3.3 14.9 1.0 P B:PO41444 3.4 18.1 1.0 CG B:HIS281 3.5 11.7 1.0 ND2 B:ASN134 3.5 15.0 1.0 OD1 B:ASP101 3.6 12.7 1.0 O4 B:PO41444 3.6 14.8 1.0 CA B:HIS281 3.8 13.8 1.0 OD2 B:ASP47 3.8 15.3 1.0 O3 B:PO41444 3.9 18.7 1.0 CB B:HIS281 4.0 12.4 1.0 O B:HIS281 4.0 15.3 1.0 NE2 B:HIS281 4.2 12.6 1.0 ND1 B:HIS243 4.2 15.2 1.0 CG B:HIS243 4.4 13.6 1.0 CB B:ASP101 4.4 11.8 1.0 C B:HIS281 4.4 14.6 1.0 CD2 B:HIS135 4.4 15.0 1.0 N B:ASN134 4.4 11.2 1.0 CD2 B:HIS281 4.5 11.6 1.0 CB B:ASN134 4.5 9.9 1.0 O2 B:PO41444 4.6 18.5 1.0 N B:HIS281 4.8 13.0 1.0 NE2 B:HIS283 5.0 17.6 1.0 CG B:ASP47 5.0 15.0 1.0

Y.G.Kim, J.H.Jeong, N.C.Ha, K.J.Kim. Structural and Functional Analysis of the LMO2642 Cyclic Nucleotide Phosphodiesterase From Listeria Monocytogenes. Proteins V. 79 1205 2011.
ISSN: ISSN 0887-3585
PubMed: 21246635
DOI: 10.1002/PROT.22954