Iron in PDB 6lrn: Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution

The structure of Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution, PDB code: 6lrn 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)	48.91 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.731, 93.173, 82.319, 90.00, 91.20, 90.00
R / Rfree (%)	22 / 28.5

The structure of Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution also contains other interesting chemical elements:

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

The binding sites of Iron atom in the Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution (pdb code 6lrn). 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 Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution, PDB code: 6lrn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A 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 Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe906 b:39.8 occ:1.00 FE A:HEM906 0.0 39.8 1.0 ND A:HEM906 1.9 42.0 1.0 NA A:HEM906 2.0 41.6 1.0 NE2 A:HIS351 2.1 32.8 1.0 NC A:HEM906 2.1 37.9 1.0 NB A:HEM906 2.1 40.5 1.0 O1 A:PEO907 2.7 64.0 1.0 C4D A:HEM906 2.9 40.1 1.0 C1D A:HEM906 2.9 36.7 1.0 C1A A:HEM906 3.0 37.7 1.0 C4A A:HEM906 3.0 41.2 1.0 C4B A:HEM906 3.0 39.3 1.0 C4C A:HEM906 3.1 37.5 1.0 CD2 A:HIS351 3.1 38.7 1.0 CE1 A:HIS351 3.1 40.6 1.0 C1B A:HEM906 3.1 39.1 1.0 C1C A:HEM906 3.1 36.3 1.0 CHA A:HEM906 3.4 39.9 1.0 CHD A:HEM906 3.4 35.7 1.0 CHB A:HEM906 3.4 40.9 1.0 CHC A:HEM906 3.4 39.5 1.0 O2 A:PEO907 3.9 69.4 1.0 C2D A:HEM906 4.2 36.0 1.0 C2A A:HEM906 4.2 35.5 1.0 ND1 A:HIS351 4.2 34.0 1.0 C3D A:HEM906 4.2 37.7 1.0 CG A:HIS351 4.2 36.5 1.0 C3A A:HEM906 4.2 37.2 1.0 C2C A:HEM906 4.3 36.8 1.0 C3C A:HEM906 4.3 38.1 1.0 C2B A:HEM906 4.3 41.1 1.0 C3B A:HEM906 4.3 41.3 1.0 NE2 A:GLN105 4.5 32.7 1.0 CD2 A:LEU433 4.7 38.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A 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 Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe805 b:37.8 occ:1.00 FE B:HEM805 0.0 37.8 1.0 ND B:HEM805 1.9 42.9 1.0 NA B:HEM805 2.0 39.2 1.0 NE2 B:HIS351 2.1 36.5 1.0 NC B:HEM805 2.1 37.8 1.0 NB B:HEM805 2.1 38.5 1.0 C4D B:HEM805 2.9 41.3 1.0 C1D B:HEM805 2.9 38.9 1.0 C1A B:HEM805 3.0 36.4 1.0 C4C B:HEM805 3.0 38.2 1.0 CD2 B:HIS351 3.1 38.0 1.0 CE1 B:HIS351 3.1 38.7 1.0 C4A B:HEM805 3.1 33.5 1.0 C4B B:HEM805 3.1 37.9 1.0 C1B B:HEM805 3.1 34.5 1.0 O2 B:PEO806 3.1 64.7 1.0 C1C B:HEM805 3.1 39.6 1.0 CHA B:HEM805 3.3 39.7 1.0 CHD B:HEM805 3.4 37.3 1.0 CHB B:HEM805 3.5 34.1 1.0 CHC B:HEM805 3.5 38.6 1.0 C2D B:HEM805 4.1 40.4 1.0 C3D B:HEM805 4.2 43.2 1.0 ND1 B:HIS351 4.2 34.1 1.0 C2A B:HEM805 4.2 31.9 1.0 O1 B:PEO806 4.2 60.8 1.0 CG B:HIS351 4.2 38.5 1.0 C3A B:HEM805 4.2 34.1 1.0 C3C B:HEM805 4.3 38.6 1.0 C2C B:HEM805 4.3 41.0 1.0 C2B B:HEM805 4.3 33.7 1.0 C3B B:HEM805 4.4 35.0 1.0 NE2 B:GLN105 4.5 39.0 1.0 CD2 B:LEU433 4.7 50.7 1.0

P.K.Singh, V.Viswanathan, N.Ahmad, C.Rani, P.Sharma, S.Sharma, T.P.Singh. Crystal Structure of Yak Lactoperoxidase with Two Crystallographically Independent Molecules in Asymmetric Unit at 2.50 A Resolution To Be Published.