Iron in PDB 7y3u: Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution:
1.11.1.7;

The structure of Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution, PDB code: 7y3u was solved by P.K.Singh, V.Viswanathan, N.Ahmad, C.Rani, P.Sharma, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.86 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.731, 93.173, 82.319, 90, 91.2, 90
R / Rfree (%)	21.9 / 27.7

The structure of Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution (pdb code 7y3u). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution, PDB code: 7y3u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:39.4 occ:1.00 FE A:MH0601 0.0 39.4 1.0 N A:NO607 1.8 53.9 1.0 NE2 A:HIS351 1.9 36.7 1.0 ND A:MH0601 1.9 40.8 1.0 NA A:MH0601 2.0 41.4 1.0 NC A:MH0601 2.1 36.8 1.0 NB A:MH0601 2.1 40.1 1.0 CE1 A:HIS351 2.8 39.1 1.0 C4D A:MH0601 2.9 39.1 1.0 CD2 A:HIS351 3.0 40.1 1.0 C1D A:MH0601 3.0 37.4 1.0 O A:NO607 3.0 54.8 1.0 C1A A:MH0601 3.0 39.2 1.0 C4A A:MH0601 3.0 42.6 1.0 C4C A:MH0601 3.1 37.9 1.0 C4B A:MH0601 3.1 40.5 1.0 C1B A:MH0601 3.1 40.6 1.0 C1C A:MH0601 3.1 36.0 1.0 CHA A:MH0601 3.4 40.5 1.0 CHD A:MH0601 3.4 37.6 1.0 CHB A:MH0601 3.4 41.8 1.0 CHC A:MH0601 3.5 40.0 1.0 ND1 A:HIS351 4.0 35.5 1.0 CG A:HIS351 4.1 37.3 1.0 C2A A:MH0601 4.2 37.3 1.0 C2D A:MH0601 4.2 35.2 1.0 C3A A:MH0601 4.2 38.4 1.0 C3D A:MH0601 4.2 37.6 1.0 C2C A:MH0601 4.3 35.7 1.0 C3C A:MH0601 4.3 36.7 1.0 C2B A:MH0601 4.3 43.7 1.0 C3B A:MH0601 4.3 41.5 1.0 NE2 A:GLN105 4.5 36.4 1.0 CD2 A:LEU433 4.7 38.2 1.0 O A:HOH1076 4.7 33.2 0.5 O A:HOH1002 4.7 42.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:38.8 occ:1.00 FE B:MH0602 0.0 38.8 1.0 NE2 B:HIS351 1.9 42.1 1.0 N B:NO607 1.9 60.5 1.0 ND B:MH0602 1.9 42.5 1.0 NA B:MH0602 2.0 38.3 1.0 NC B:MH0602 2.1 36.8 1.0 NB B:MH0602 2.1 38.0 1.0 CE1 B:HIS351 2.8 42.3 1.0 C4D B:MH0602 2.9 40.7 1.0 C1D B:MH0602 2.9 40.6 1.0 CD2 B:HIS351 3.0 42.8 1.0 C1A B:MH0602 3.0 36.3 1.0 C4C B:MH0602 3.0 38.1 1.0 C4A B:MH0602 3.1 35.2 1.0 C4B B:MH0602 3.1 37.4 1.0 C1B B:MH0602 3.1 35.4 1.0 C1C B:MH0602 3.1 39.5 1.0 O B:NO607 3.1 55.5 1.0 CHA B:MH0602 3.4 39.5 1.0 CHD B:MH0602 3.4 38.7 1.0 CHB B:MH0602 3.5 35.0 1.0 CHC B:MH0602 3.5 38.8 1.0 ND1 B:HIS351 4.0 37.8 1.0 CG B:HIS351 4.1 42.5 1.0 C2D B:MH0602 4.2 40.1 1.0 C3D B:MH0602 4.2 42.2 1.0 C2A B:MH0602 4.2 32.9 1.0 C3A B:MH0602 4.2 35.8 1.0 C3C B:MH0602 4.3 40.0 1.0 C2C B:MH0602 4.3 40.3 1.0 C2B B:MH0602 4.3 34.9 1.0 O B:HOH959 4.3 23.7 0.5 C3B B:MH0602 4.4 34.7 1.0 NE2 B:GLN105 4.5 38.8 1.0 CD2 B:LEU433 4.8 46.8 1.0 O B:HOH972 4.8 40.0 0.5 O B:HOH902 4.8 33.2 1.0

P.K.Singh, V.Viswanathan, N.Ahmad. Crystal Structure of the Complex of Lactoperoxidase with Nitric Oxide at 2.50A Resolution To Be Published.