Iron in PDB 3cr9: Crystal Structure of the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution

The structure of Crystal Structure of the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution, PDB code: 3cr9 was solved by R.Mir, A.Kaur, A.K.Singh, N.Singh, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.946, 99.497, 102.415, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 22.6

The binding sites of Iron atom in the Crystal Structure of the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution (pdb code 3cr9). 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 the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution, PDB code: 3cr9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 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 the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:36.5 occ:1.00 OH A:TYR192 2.0 28.8 1.0 OD1 A:ASP60 2.1 40.1 1.0 NE2 A:HIS253 2.7 19.5 1.0 OH A:TYR92 2.7 14.5 1.0 CG A:ASP60 2.8 39.4 1.0 CZ A:TYR192 2.9 28.8 1.0 CE1 A:TYR192 3.3 26.2 1.0 CE1 A:HIS253 3.4 22.2 1.0 OD2 A:ASP60 3.5 43.5 1.0 CB A:ASP60 3.6 35.2 1.0 CD2 A:HIS253 3.8 21.9 1.0 CZ A:TYR92 3.8 25.0 1.0 NH2 A:ARG121 3.8 39.8 1.0 CE2 A:TYR192 3.9 32.2 1.0 NE A:ARG121 3.9 34.8 1.0 CE2 A:TYR92 4.2 27.1 1.0 CZ A:ARG121 4.3 38.9 1.0 N A:ALA123 4.4 24.8 1.0 CB A:SER122 4.4 24.2 1.0 N A:SER122 4.5 25.5 1.0 CB A:ARG121 4.5 23.8 1.0 CD1 A:TYR192 4.6 28.4 1.0 ND1 A:HIS253 4.6 21.1 1.0 CA A:ASP60 4.7 30.4 1.0 CB A:ALA123 4.8 26.2 1.0 CG A:HIS253 4.8 19.6 1.0 CE1 A:TYR92 4.8 25.8 1.0 CA A:SER122 4.9 25.8 1.0 OG A:SER122 5.0 22.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 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 the Complex of Lactoferrin with 6- (Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:23.5 occ:1.00 OD1 A:ASP395 1.9 43.7 1.0 OH A:TYR526 2.6 27.7 1.0 OH A:TYR433 2.9 19.9 1.0 CG A:ASP395 3.0 33.6 1.0 NE2 A:HIS595 3.0 23.4 1.0 CZ A:TYR526 3.3 30.2 1.0 CE1 A:HIS595 3.7 28.1 1.0 OD2 A:ASP395 3.8 29.8 1.0 CE1 A:TYR526 3.8 25.4 1.0 CB A:ASP395 3.8 26.6 1.0 CZ A:TYR433 3.9 31.1 1.0 NH2 A:ARG463 4.0 44.0 1.0 N A:ALA465 4.0 25.4 1.0 CD2 A:HIS595 4.1 28.1 1.0 NE A:ARG463 4.2 39.0 1.0 N A:THR464 4.2 24.1 1.0 CE2 A:TYR526 4.2 30.8 1.0 CB A:ALA465 4.3 34.5 1.0 CB A:THR464 4.3 18.8 1.0 CE1 A:TYR433 4.4 30.4 1.0 CB A:ARG463 4.5 27.5 1.0 CZ A:ARG463 4.5 39.7 1.0 OG1 A:THR464 4.6 14.7 1.0 CA A:THR464 4.6 22.7 1.0 CA A:ALA465 4.8 29.0 1.0 C A:THR464 4.8 24.5 1.0 CA A:ASP395 4.8 18.8 1.0 ND1 A:HIS595 4.8 29.8 1.0 CE2 A:TYR433 4.9 32.9 1.0 C A:ARG463 5.0 26.7 1.0

R.Mir, A.Kaur, A.K.Singh, N.Singh, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of Lactoferrin with 6-(Hydroxymethyl)Oxane-2,3,4,5-Tetrol at 3.49 A Resolution To Be Published.