Iron in PDB 1ce2: Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution

The structure of Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution, PDB code: 1ce2 was solved by S.Karthikeyan, M.Paramasivam, S.Yadav, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.462, 91.035, 131.507, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 26.5

The binding sites of Iron atom in the Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution (pdb code 1ce2). 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 Diferric Buffalo Lactoferrin at 2.5A Resolution, PDB code: 1ce2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:39.4 occ:1.00 OH A:TYR92 1.9 32.5 1.0 OH A:TYR192 2.0 49.0 1.0 O1 A:CO3692 2.1 33.0 1.0 NE2 A:HIS253 2.1 30.6 1.0 OD1 A:ASP60 2.2 46.8 1.0 O2 A:CO3692 2.3 25.9 1.0 C A:CO3692 2.5 36.7 1.0 CE1 A:HIS253 3.0 30.4 1.0 CZ A:TYR192 3.0 43.8 1.0 CZ A:TYR92 3.0 39.9 1.0 CD2 A:HIS253 3.2 34.5 1.0 CG A:ASP60 3.3 35.3 1.0 CE1 A:TYR92 3.7 33.8 1.0 CE1 A:TYR192 3.7 39.3 1.0 O3 A:CO3692 3.8 42.2 1.0 CE2 A:TYR192 3.8 40.6 1.0 CE2 A:TYR92 3.9 41.1 1.0 OD2 A:ASP60 4.1 32.2 1.0 CB A:ASP60 4.1 32.5 1.0 ND1 A:HIS253 4.1 31.4 1.0 CG A:HIS253 4.3 33.6 1.0 O A:HOH773 4.3 36.6 1.0 O A:HOH724 4.3 36.6 1.0 NH2 A:ARG121 4.4 40.3 1.0 CB A:SER122 4.4 29.7 1.0 CA A:ASP60 4.7 34.8 1.0 N A:ALA123 4.7 34.9 1.0 OG A:SER122 4.8 32.8 1.0 NE A:ARG121 4.9 48.2 1.0 N A:SER122 4.9 29.4 1.0 CD1 A:TYR192 5.0 38.4 1.0

Iron binding site 2 out of 2 in the Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Diferric Buffalo Lactoferrin at 2.5A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:37.5 occ:1.00 OH A:TYR526 2.0 41.5 1.0 OD1 A:ASP395 2.0 35.8 1.0 OH A:TYR433 2.0 42.6 1.0 NE2 A:HIS595 2.1 27.9 1.0 O3 A:CO3693 2.1 28.0 1.0 O1 A:CO3693 2.3 26.1 1.0 C A:CO3693 2.5 36.4 1.0 CE1 A:HIS595 2.9 32.8 1.0 CG A:ASP395 3.0 33.9 1.0 CZ A:TYR526 3.1 29.5 1.0 CZ A:TYR433 3.1 45.0 1.0 CD2 A:HIS595 3.2 30.9 1.0 O A:HOH708 3.8 32.5 1.0 CB A:ASP395 3.9 36.6 1.0 O2 A:CO3693 3.9 36.0 1.0 O A:HOH709 3.9 23.8 1.0 OD2 A:ASP395 3.9 31.0 1.0 CE1 A:TYR433 3.9 40.5 1.0 CE1 A:TYR526 3.9 22.6 1.0 CE2 A:TYR433 3.9 39.2 1.0 CE2 A:TYR526 3.9 31.9 1.0 ND1 A:HIS595 4.1 26.2 1.0 CG A:HIS595 4.2 28.6 1.0 NH2 A:ARG463 4.4 54.4 1.0 CB A:THR464 4.4 29.4 1.0 CA A:ASP395 4.5 39.5 1.0 OG1 A:THR464 4.6 27.2 1.0 N A:ALA465 4.7 30.6 1.0 N A:THR464 4.7 26.3 1.0 NE A:ARG463 4.8 47.7 1.0 N A:GLY396 4.8 40.2 1.0 CZ A:ARG463 4.9 58.1 1.0

S.Karthikeyan, M.Paramasivam, S.Yadav, A.Srinivasan, T.P.Singh. Structure of Buffalo Lactoferrin at 2.5 A Resolution Using Crystals Grown at 303 K Shows Different Orientations of the N and C Lobes. Acta Crystallogr.,Sect.D V. 55 1805 1999.
ISSN: ISSN 0907-4449
PubMed: 10531476
DOI: 10.1107/S0907444999010951