Iron in PDB 1i6q: Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution

The structure of Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution, PDB code: 1i6q was solved by J.A.Khan, P.Kumar, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	175.910, 80.620, 56.290, 90.00, 92.37, 90.00
R / Rfree (%)	18.8 / 25.5

The binding sites of Iron atom in the Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution (pdb code 1i6q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution, PDB code: 1i6q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:25.1 occ:0.50 OH A:TYR192 2.7 29.1 1.0 OH A:TYR92 2.7 20.7 1.0 C A:CO3692 2.7 23.3 1.0 O1 A:CO3692 2.8 23.2 1.0 O2 A:CO3692 2.8 82.4 1.0 CB A:SER122 3.7 34.2 1.0 CZ A:TYR192 3.7 27.8 1.0 CZ A:TYR92 3.8 19.4 1.0 CB A:ALA123 3.9 27.8 1.0 O3 A:CO3692 3.9 82.7 1.0 CE2 A:TYR192 4.0 25.9 1.0 CE2 A:TYR92 4.4 17.9 1.0 NH1 A:ARG121 4.4 50.6 1.0 N A:ALA123 4.4 29.8 1.0 OG A:SER122 4.5 41.5 1.0 CE1 A:TYR92 4.8 19.3 1.0 N A:SER122 4.8 28.2 1.0 CA A:SER122 4.8 28.4 1.0 CG A:ARG121 4.9 31.8 1.0 CA A:ALA123 4.9 28.5 1.0 CE1 A:TYR192 4.9 28.3 1.0

Iron binding site 2 out of 2 in the Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Formation of A Protein Intermediate and Its Trapping By the Simultaneous Crystallization Process: Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:25.1 occ:0.50 OH A:TYR526 2.5 64.4 1.0 O1 A:CO3693 2.6 91.7 1.0 O2 A:CO3693 2.6 90.9 1.0 C A:CO3693 2.9 91.4 1.0 CB A:ARG463 3.3 67.8 1.0 O3 A:CO3693 3.7 91.1 1.0 CZ A:TYR526 3.7 66.9 1.0 N A:THR464 3.8 59.3 1.0 OH A:TYR433 3.9 94.7 1.0 NE A:ARG463 4.1 76.1 1.0 CB A:THR464 4.2 57.3 1.0 CA A:ARG463 4.2 63.5 1.0 CD A:ARG463 4.2 74.2 1.0 CG A:ARG463 4.3 72.0 1.0 CE1 A:TYR526 4.3 66.9 1.0 C A:ARG463 4.4 60.9 1.0 CZ A:ARG463 4.5 75.5 1.0 OG1 A:THR464 4.6 57.5 1.0 CA A:THR464 4.7 57.6 1.0 N A:ALA465 4.7 51.8 1.0 CE2 A:TYR526 4.8 68.4 1.0 NH2 A:ARG463 5.0 74.8 1.0

J.A.Khan, P.Kumar, A.Srinivasan, T.P.Singh. Protein Intermediate Trapped By the Simultaneous Crystallization Process. Crystal Structure of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin at 2.7 A Resolution. J.Biol.Chem. V. 276 36817 2001.
ISSN: ISSN 0021-9258
PubMed: 11473113
DOI: 10.1074/JBC.M104343200