Iron in PDB 1jw1: Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals

The structure of Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals, PDB code: 1jw1 was solved by P.Kumar, S.Yadav, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 4.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.600, 153.800, 155.050, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 32.8

The binding sites of Iron atom in the Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals (pdb code 1jw1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals, PDB code: 1jw1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:14.1 occ:1.00 OH A:TYR92 1.5 7.1 1.0 OH A:TYR192 1.9 23.6 1.0 OD1 A:ASP60 2.0 21.4 1.0 NE2 A:HIS253 2.1 5.2 1.0 CG A:ASP60 2.6 10.0 1.0 CZ A:TYR92 2.7 14.6 1.0 CD2 A:HIS253 2.9 9.1 1.0 OD2 A:ASP60 3.2 6.8 1.0 CE2 A:TYR92 3.2 15.8 1.0 CZ A:TYR192 3.3 18.4 1.0 CE1 A:HIS253 3.3 5.1 1.0 CB A:ASP60 3.6 7.1 1.0 CE1 A:TYR92 3.8 8.4 1.0 CG A:HIS253 4.1 8.2 1.0 CE1 A:TYR192 4.1 13.9 1.0 CE2 A:TYR192 4.2 15.2 1.0 ND1 A:HIS253 4.3 6.0 1.0 CA A:ASP60 4.3 9.4 1.0 CD2 A:TYR92 4.5 13.0 1.0 CB A:ALA123 4.8 7.9 1.0 CE A:MET117 4.8 0.0 1.0 N A:ALA123 4.8 9.5 1.0 NH2 A:ARG121 4.8 14.9 1.0 SD A:MET117 4.9 0.0 1.0 CZ A:ARG121 4.9 17.9 1.0 CB A:SER122 5.0 4.3 1.0 CD1 A:TYR92 5.0 10.9 1.0

Iron binding site 2 out of 2 in the Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystallization and Structure Determination of Goat Lactoferrin at 4.0 Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:12.1 occ:1.00 OH A:TYR433 1.3 17.2 1.0 OH A:TYR526 2.4 16.2 1.0 OD1 A:ASP395 2.4 0.0 1.0 CG A:ASP395 2.5 0.0 1.0 CZ A:TYR433 2.6 19.6 1.0 CD2 A:HIS595 2.7 5.5 1.0 OD2 A:ASP395 2.7 0.0 1.0 NE2 A:HIS595 3.0 2.5 1.0 CE2 A:TYR433 3.3 13.9 1.0 CE1 A:TYR433 3.6 15.2 1.0 OG1 A:THR464 3.6 1.8 1.0 CB A:ASP395 3.7 0.0 1.0 CZ A:TYR526 3.7 4.1 1.0 CB A:THR464 3.9 4.0 1.0 CA A:ASP395 4.0 14.1 1.0 CG A:HIS595 4.0 3.2 1.0 C A:ASP395 4.2 15.4 1.0 CE1 A:HIS595 4.3 7.4 1.0 N A:GLY396 4.3 14.8 1.0 CE2 A:TYR526 4.4 6.5 1.0 O A:PRO593 4.4 12.9 1.0 N A:THR464 4.5 0.9 1.0 CD2 A:TYR433 4.6 7.2 1.0 CE1 A:TYR526 4.7 0.0 1.0 ND1 A:HIS595 4.8 0.8 1.0 CA A:THR464 4.8 0.0 1.0 CD1 A:TYR433 4.8 13.1 1.0 CG2 A:THR464 5.0 0.0 1.0

P.Kumar, S.Yadav, T.P.Singh. Crystallization and Structure Determonation of Goat Lactoferrin at 4.0A Resolution: A New Form of Packing in Lactoferrins with A High Solvent Content in Crystals Indian J.Biochem.Biophys. V. 39 16 2002.
ISSN: ISSN 0301-1208