Iron in PDB 3ped: Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis

The structure of Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis, PDB code: 3ped was solved by M.C.Clifton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.200, 114.200, 119.300, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.3

The binding sites of Iron atom in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis (pdb code 3ped). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis, PDB code: 3ped:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe179 b:56.0 occ:1.00 O2 A:ZYF200 2.0 50.8 1.0 N11 A:ZYF200 2.2 56.0 1.0 O38 A:ZYF200 2.2 62.2 1.0 O36 A:ZYF200 2.3 63.2 1.0 O44 A:ZYF200 2.3 63.2 1.0 O46 A:ZYF200 2.3 64.1 1.0 C37 A:ZYF200 3.0 63.2 1.0 N35 A:ZYF200 3.0 62.5 1.0 C45 A:ZYF200 3.1 63.8 1.0 C3 A:ZYF200 3.1 49.3 1.0 C10 A:ZYF200 3.1 53.2 1.0 N43 A:ZYF200 3.1 63.4 1.0 C12 A:ZYF200 3.2 57.5 1.0 C8 A:ZYF200 3.5 50.2 1.0 O A:HOH223 3.6 60.4 1.0 N17 A:ZYF200 3.7 61.5 1.0 C15 A:ZYF200 3.9 59.8 1.0 NZ A:LYS134 4.0 44.9 1.0 NZ A:LYS125 4.2 44.4 1.0 C4 A:ZYF200 4.3 48.4 1.0 O14 A:ZYF200 4.4 55.5 1.0 C34 A:ZYF200 4.4 62.5 1.0 C30 A:ZYF200 4.4 63.5 1.0 C13 A:ZYF200 4.4 56.8 1.0 O A:HOH182 4.5 51.6 1.0 C47 A:ZYF200 4.5 63.7 1.0 C42 A:ZYF200 4.5 64.3 1.0 C40 A:ZYF200 4.7 64.1 1.0 N29 A:ZYF200 4.9 64.6 1.0 C33 A:ZYF200 4.9 62.5 1.0 C41 A:ZYF200 4.9 64.9 1.0 C49 A:ZYF200 4.9 63.9 1.0 C7 A:ZYF200 4.9 49.0 1.0 CE A:LYS134 4.9 44.5 1.0 C31 A:ZYF200 5.0 62.9 1.0 C18 A:ZYF200 5.0 63.4 1.0

Iron binding site 2 out of 3 in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe179 b:66.6 occ:1.00 O36 B:ZYF200 2.0 69.6 1.0 O44 B:ZYF200 2.2 72.4 1.0 O2 B:ZYF200 2.2 64.3 1.0 O46 B:ZYF200 2.3 70.1 1.0 N11 B:ZYF200 2.3 69.4 1.0 O38 B:ZYF200 2.4 71.3 1.0 N35 B:ZYF200 2.9 70.5 1.0 N43 B:ZYF200 3.0 72.4 1.0 C45 B:ZYF200 3.0 71.7 1.0 C37 B:ZYF200 3.0 71.0 1.0 C12 B:ZYF200 3.1 70.8 1.0 C10 B:ZYF200 3.2 68.2 1.0 C3 B:ZYF200 3.3 65.5 1.0 N17 B:ZYF200 3.6 72.4 1.0 C8 B:ZYF200 3.7 66.4 1.0 NZ B:LYS134 3.8 58.0 1.0 O B:HOH196 3.8 57.3 1.0 C15 B:ZYF200 3.8 72.1 1.0 O B:HOH197 4.2 63.9 1.0 C34 B:ZYF200 4.3 71.0 1.0 NZ B:LYS125 4.3 56.4 1.0 C42 B:ZYF200 4.4 72.7 1.0 C13 B:ZYF200 4.4 70.5 1.0 O14 B:ZYF200 4.4 69.8 1.0 C47 B:ZYF200 4.5 72.0 1.0 C4 B:ZYF200 4.5 65.2 1.0 C30 B:ZYF200 4.5 72.0 1.0 C40 B:ZYF200 4.6 73.2 1.0 O B:HOH184 4.6 60.3 1.0 C18 B:ZYF200 4.8 72.7 1.0 C33 B:ZYF200 4.9 70.8 1.0 O B:HOH192 4.9 61.9 1.0 C49 B:ZYF200 5.0 71.2 1.0 CE B:LYS134 5.0 57.6 1.0 C39 B:ZYF200 5.0 73.1 1.0

Iron binding site 3 out of 3 in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe179 b:50.7 occ:1.00 O36 C:ZYF200 2.0 58.0 1.0 O2 C:ZYF200 2.0 39.3 1.0 O38 C:ZYF200 2.1 54.1 1.0 O46 C:ZYF200 2.1 64.4 1.0 N11 C:ZYF200 2.1 44.4 1.0 O44 C:ZYF200 2.1 64.0 1.0 C37 C:ZYF200 2.8 57.1 1.0 N35 C:ZYF200 2.8 56.5 1.0 C45 C:ZYF200 2.9 64.4 1.0 N43 C:ZYF200 2.9 64.6 1.0 C10 C:ZYF200 3.1 41.8 1.0 C3 C:ZYF200 3.1 38.0 1.0 C12 C:ZYF200 3.1 47.4 1.0 C8 C:ZYF200 3.5 38.2 1.0 N17 C:ZYF200 3.6 56.1 1.0 C15 C:ZYF200 3.8 51.0 1.0 NZ C:LYS134 4.0 39.0 1.0 NZ C:LYS125 4.2 46.4 1.0 C34 C:ZYF200 4.2 55.9 1.0 C30 C:ZYF200 4.3 57.7 1.0 O14 C:ZYF200 4.3 44.1 1.0 C42 C:ZYF200 4.3 63.7 1.0 C47 C:ZYF200 4.3 63.5 1.0 C4 C:ZYF200 4.3 36.8 1.0 C13 C:ZYF200 4.4 45.7 1.0 C40 C:ZYF200 4.6 62.0 1.0 O C:HOH202 4.6 43.6 1.0 N29 C:ZYF200 4.8 58.7 1.0 C18 C:ZYF200 4.8 59.9 1.0 CE C:LYS134 4.9 37.7 1.0 C33 C:ZYF200 4.9 55.9 1.0 C7 C:ZYF200 4.9 37.5 1.0 C49 C:ZYF200 4.9 60.6 1.0 C31 C:ZYF200 5.0 56.9 1.0 O16 C:ZYF200 5.0 53.5 1.0

T.M.Hoette, M.C.Clifton, A.M.Zawadzka, M.A.Holmes, R.K.Strong, K.R.Raymond. Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis To Be Published.