Iron in PDB 1sqy: Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5

The structure of Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5, PDB code: 1sqy was solved by P.Vikram, R.Prem Kumar, N.Singh, J.Kumar, A.S.Ethayathulla, S.Sharma, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.156, 98.090, 157.036, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 21.5

The binding sites of Iron atom in the Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5 (pdb code 1sqy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5, PDB code: 1sqy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:4.4 occ:1.00 OH A:TYR435 1.9 38.1 1.0 OH A:TYR528 1.9 35.3 1.0 OD1 A:ASP395 2.0 32.7 1.0 O1 A:CO3704 2.0 35.5 1.0 O3 A:CO3704 2.2 31.6 1.0 NE2 A:HIS597 2.4 33.5 1.0 C A:CO3704 2.5 33.3 1.0 CZ A:TYR435 3.1 39.2 1.0 CZ A:TYR528 3.1 35.7 1.0 CG A:ASP395 3.2 32.3 1.0 CD2 A:HIS597 3.3 30.9 1.0 CE1 A:HIS597 3.4 34.2 1.0 CE2 A:TYR435 3.7 38.1 1.0 O2 A:CO3704 3.8 33.3 1.0 CE1 A:TYR528 3.9 32.5 1.0 CB A:ASP395 3.9 32.0 1.0 O A:HOH754 3.9 40.5 1.0 CE2 A:TYR528 4.0 36.1 1.0 O A:HOH758 4.0 39.9 1.0 OD2 A:ASP395 4.1 32.0 1.0 CE1 A:TYR435 4.1 37.6 1.0 NH2 A:ARG465 4.3 33.9 1.0 CB A:THR466 4.3 32.9 1.0 CG A:HIS597 4.5 31.0 1.0 ND1 A:HIS597 4.5 29.7 1.0 CA A:ASP395 4.5 32.4 1.0 N A:ALA467 4.7 33.6 1.0 OG1 A:THR466 4.7 34.2 1.0 N A:THR466 4.8 32.9 1.0 NE A:ARG465 4.9 36.2 1.0 CD2 A:TYR435 5.0 37.9 1.0

Iron binding site 2 out of 2 in the Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:3.6 occ:1.00 OH A:TYR92 2.0 32.2 1.0 OH A:TYR192 2.0 33.3 1.0 O1 A:CO3703 2.0 35.5 1.0 OD1 A:ASP60 2.0 40.6 1.0 O3 A:CO3703 2.2 34.7 1.0 NE2 A:HIS253 2.2 29.9 1.0 C A:CO3703 2.5 36.2 1.0 CZ A:TYR92 3.1 37.0 1.0 CG A:ASP60 3.2 37.5 1.0 CE1 A:HIS253 3.2 32.1 1.0 CZ A:TYR192 3.2 33.9 1.0 CD2 A:HIS253 3.2 34.0 1.0 CE2 A:TYR92 3.8 34.6 1.0 O2 A:CO3703 3.8 38.1 1.0 CE1 A:TYR192 3.9 33.0 1.0 OD2 A:ASP60 3.9 36.2 1.0 CB A:ASP60 4.0 36.7 1.0 O A:HOH739 4.0 34.9 1.0 CE2 A:TYR192 4.1 33.0 1.0 CE1 A:TYR92 4.1 37.3 1.0 CB A:THR122 4.2 36.1 1.0 ND1 A:HIS253 4.3 29.3 1.0 NH2 A:ARG210 4.3 29.1 1.0 CG A:HIS253 4.4 34.7 1.0 OG1 A:THR122 4.7 33.0 1.0 CA A:ASP60 4.7 36.9 1.0 N A:ALA123 4.7 36.4 1.0 N A:THR122 4.8 36.9 1.0 NH2 A:ARG121 4.8 41.2 1.0 NE A:ARG121 4.9 41.6 1.0

P.Vikram, R.Prem Kumar, N.Singh, J.Kumar, A.S.Ethayathulla, S.Sharma, P.Kaur, T.P.Singh. Structure of Human Diferric Lactoferrin at 2.5A Resolution Using Crystals Grown at pH 6.5. To Be Published.