Iron in PDB 1n76: Crystal Structure of Human Seminal Lactoferrin at 3.4 A Resolution

The structure of Crystal Structure of Human Seminal Lactoferrin at 3.4 A Resolution, PDB code: 1n76 was solved by J.Kumar, W.Weber, S.Munchau, S.Yadav, S.B.Singh, K.Sarvanan, M.Paramsivam, S.Sharma, P.Kaur, A.Bhushan, A.Srinivasan, C.Betzel, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.65 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.052, 97.507, 156.790, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.6

The structure of Crystal Structure of Human Seminal Lactoferrin at 3.4 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Human Seminal Lactoferrin at 3.4 A Resolution (pdb code 1n76). 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 Human Seminal Lactoferrin at 3.4 A Resolution, PDB code: 1n76:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Seminal Lactoferrin at 3.4 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 Human Seminal Lactoferrin at 3.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe693 b:49.1 occ:1.00 OD1 A:ASP60 1.9 44.9 1.0 OH A:TYR192 1.9 39.4 1.0 O2 A:CO3695 2.0 46.5 1.0 OH A:TYR92 2.0 44.5 1.0 NE2 A:HIS253 2.2 30.2 1.0 O1 A:CO3695 2.4 52.8 1.0 C A:CO3695 2.5 53.4 1.0 CZ A:TYR92 3.0 40.1 1.0 CE1 A:HIS253 3.1 38.2 1.0 CG A:ASP60 3.1 42.8 1.0 CZ A:TYR192 3.1 29.0 1.0 CD2 A:HIS253 3.2 36.5 1.0 CE2 A:TYR92 3.7 40.0 1.0 O3 A:CO3695 3.8 55.9 1.0 CE1 A:TYR92 3.9 41.6 1.0 OD2 A:ASP60 3.9 34.2 1.0 CE2 A:TYR192 3.9 38.6 1.0 CE1 A:TYR192 3.9 31.6 1.0 CB A:ASP60 4.0 43.9 1.0 NH2 A:ARG210 4.1 46.1 1.0 CB A:THR122 4.2 41.3 1.0 OG1 A:THR122 4.2 46.5 1.0 ND1 A:HIS253 4.2 39.4 1.0 CG A:HIS253 4.3 37.9 1.0 CA A:ASP60 4.6 42.2 1.0 N A:THR122 4.8 41.1 1.0 N A:ALA123 4.9 37.2 1.0 CD2 A:TYR92 4.9 32.6 1.0 NH2 A:ARG121 5.0 39.7 1.0 N A:GLY61 5.0 45.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Seminal Lactoferrin at 3.4 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 Human Seminal Lactoferrin at 3.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe694 b:45.5 occ:1.00 OH A:TYR435 2.0 37.7 1.0 O1 A:CO3696 2.0 30.7 1.0 OH A:TYR528 2.0 46.8 1.0 OD1 A:ASP395 2.1 33.9 1.0 O2 A:CO3696 2.2 32.4 1.0 C A:CO3696 2.4 33.2 1.0 NE2 A:HIS597 2.4 35.2 1.0 CZ A:TYR435 2.9 35.3 1.0 CZ A:TYR528 3.2 41.1 1.0 CG A:ASP395 3.2 34.9 1.0 CD2 A:HIS597 3.2 32.6 1.0 CE1 A:HIS597 3.5 34.1 1.0 CE1 A:TYR435 3.6 41.8 1.0 O3 A:CO3696 3.7 43.1 1.0 CE2 A:TYR435 3.8 33.2 1.0 OD2 A:ASP395 3.9 33.9 1.0 CE2 A:TYR528 4.0 45.8 1.0 CE1 A:TYR528 4.0 36.8 1.0 CB A:ASP395 4.2 37.1 1.0 CG A:HIS597 4.4 31.8 1.0 ND1 A:HIS597 4.5 33.2 1.0 NH2 A:ARG465 4.5 41.0 1.0 CB A:THR466 4.8 44.2 1.0 CD1 A:TYR435 4.8 41.9 1.0 CA A:ASP395 4.8 33.6 1.0 NE A:ARG465 4.9 42.9 1.0 CD2 A:TYR435 5.0 36.3 1.0

J.Kumar, W.Weber, S.Munchau, S.Yadav, S.B.Singh, K.Sarvanan, M.Paramsivam, S.Sharma, P.Kaur, A.Bhushan, A.Srinivasan, C.Betzel, T.P.Singh. Crystal Structure of Human Seminal Lactoferrin at 3.4A Resolution Indian J.Biochem.Biophys. V. 40 14 2003.
ISSN: ISSN 0301-1208