Iron in PDB 1b7z: Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum

The structure of Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum, PDB code: 1b7z was solved by A.K.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.524, 99.798, 103.935, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.4

The binding sites of Iron atom in the Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum (pdb code 1b7z). 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 Oxalate Substituted Diferric Mare Lactoferrin From Colostrum, PDB code: 1b7z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:20.5 occ:1.00 O1 A:OXL692 1.9 44.4 1.0 OH A:TYR92 1.9 10.2 1.0 OH A:TYR192 1.9 38.7 1.0 OD1 A:ASP60 2.0 26.7 1.0 O2 A:OXL692 2.0 30.5 1.0 NE2 A:HIS253 2.5 30.5 1.0 C1 A:OXL692 2.7 43.4 1.0 C2 A:OXL692 2.8 43.0 1.0 CZ A:TYR192 3.1 38.4 1.0 CZ A:TYR92 3.1 9.9 1.0 CG A:ASP60 3.1 26.2 1.0 CD2 A:HIS253 3.3 29.7 1.0 CE1 A:HIS253 3.4 33.2 1.0 CE2 A:TYR92 3.7 9.6 1.0 CE1 A:TYR192 3.8 36.8 1.0 CB A:ASP60 3.8 24.9 1.0 O3 A:OXL692 3.9 49.8 1.0 CE2 A:TYR192 4.0 36.6 1.0 O4 A:OXL692 4.1 45.5 1.0 OD2 A:ASP60 4.1 27.3 1.0 CE1 A:TYR92 4.1 2.8 1.0 O A:HOH723 4.2 50.3 1.0 CB A:SER122 4.4 16.1 1.0 CG A:HIS253 4.5 32.2 1.0 ND1 A:HIS253 4.5 35.6 1.0 NH2 A:ARG121 4.5 13.4 1.0 OG A:SER122 4.5 16.7 1.0 CA A:ASP60 4.6 24.3 1.0 N A:SER122 4.9 18.3 1.0 NE A:ARG121 4.9 20.5 1.0

Iron binding site 2 out of 2 in the Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Oxalate Substituted Diferric Mare Lactoferrin From Colostrum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:38.8 occ:1.00 OD1 A:ASP395 1.9 27.0 1.0 O1 A:OXL693 1.9 42.9 1.0 OH A:TYR433 1.9 23.8 1.0 OH A:TYR526 2.0 25.4 1.0 O2 A:OXL693 2.2 33.2 1.0 NE2 A:HIS595 2.4 24.0 1.0 C1 A:OXL693 2.7 36.7 1.0 C2 A:OXL693 2.9 36.8 1.0 CG A:ASP395 3.1 21.0 1.0 CZ A:TYR433 3.1 22.1 1.0 CD2 A:HIS595 3.1 21.7 1.0 CZ A:TYR526 3.2 12.0 1.0 CE1 A:HIS595 3.5 29.7 1.0 CB A:ASP395 3.8 13.3 1.0 CE1 A:TYR526 3.9 14.9 1.0 CE1 A:TYR433 3.9 24.6 1.0 O3 A:OXL693 3.9 43.3 1.0 CE2 A:TYR433 4.0 23.7 1.0 OD2 A:ASP395 4.0 19.8 1.0 CE2 A:TYR526 4.1 10.8 1.0 O4 A:OXL693 4.2 40.3 1.0 CG A:HIS595 4.3 21.5 1.0 ND1 A:HIS595 4.5 25.0 1.0 CA A:ASP395 4.5 18.6 1.0 CB A:THR464 4.5 8.4 1.0 OG1 A:THR464 4.7 10.5 1.0 NH2 A:ARG463 4.7 21.0 1.0 N A:ALA465 4.8 20.1 1.0 N A:GLY396 4.9 16.5 1.0 N A:THR464 5.0 15.3 1.0

A.K.Sharma, T.P.Singh. Structure of Oxalate-Substituted Diferric Mare Lactoferrin at 2.7 A Resolution. Acta Crystallogr.,Sect.D V. 55 1792 1999.
ISSN: ISSN 0907-4449
PubMed: 10531474
DOI: 10.1107/S0907444999009439