Sodium in PDB 3pec: 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: 3pec 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)	40.66 / 2.19
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 (%)	24.5 / 27.3

The structure of Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Sodium atom in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis (pdb code 3pec). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Siderocalin Recognitin of Carboxymycobactins: Interference By the Immune System in Intracellular Iron Acquisition By Mycobacteria Tuberculosis, PDB code: 3pec:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 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 Sodium with other atoms in the Na 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 C:Na182 b:49.9 occ:1.00 O C:HOH269 2.8 24.8 1.0 N C:LEU18 3.7 19.9 1.0 O C:HOH281 3.8 27.1 1.0 O C:HOH242 3.9 23.0 1.0 O C:LEU18 4.1 20.1 1.0 CA C:PRO17 4.2 20.8 1.0 O C:HOH259 4.4 39.9 1.0 C C:PRO17 4.5 19.8 1.0 CB C:PRO17 4.5 21.1 1.0 CB C:LEU18 4.6 20.0 1.0 CA C:LEU18 4.6 19.4 1.0 C C:LEU18 4.8 19.5 1.0 O C:HOH252 4.8 30.5 1.0

Sodium binding site 2 out of 4 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 Sodium with other atoms in the Na 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 C:Na183 b:42.6 occ:1.00 O C:PHE22 2.9 22.0 1.0 O A:HOH225 3.0 37.8 1.0 OD1 C:ASN21 3.1 25.2 1.0 C C:ASN21 3.7 22.1 1.0 N C:PHE22 3.8 21.4 1.0 CB C:PRO89 3.8 21.4 1.0 C C:PHE22 3.9 21.5 1.0 CA C:ASN21 3.9 23.0 1.0 O A:HOH205 4.0 15.7 1.0 O C:HOH195 4.0 9.1 1.0 CG C:PRO89 4.1 22.2 1.0 O C:ASN21 4.2 22.1 1.0 CG C:ASN21 4.2 24.9 1.0 CA C:PHE22 4.4 20.8 1.0 CB C:ASN21 4.7 24.0 1.0 O C:HOH264 4.8 15.8 1.0 CB C:PHE22 5.0 20.2 1.0

Sodium binding site 3 out of 4 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 Sodium with other atoms in the Na 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:Na184 b:32.3 occ:1.00 ND1 C:HIS118 2.9 22.4 1.0 OG C:SER112 3.1 20.2 1.0 O C:HOH274 3.3 33.9 1.0 O C:SER112 3.5 18.1 1.0 CE1 C:HIS118 3.6 23.2 1.0 C C:SER112 3.8 18.2 1.0 N C:MET120 3.8 19.4 1.0 CA C:ALA119 3.8 19.7 1.0 C C:ALA119 3.9 19.6 1.0 CB C:SER112 3.9 18.9 1.0 N C:ALA119 4.0 20.1 1.0 CG C:HIS118 4.0 22.3 1.0 CG C:MET120 4.1 21.3 1.0 N C:THR113 4.1 18.5 1.0 C C:HIS118 4.1 20.5 1.0 O C:HIS118 4.2 20.5 1.0 CA C:THR113 4.2 18.6 1.0 CB C:MET120 4.4 19.8 1.0 CB C:HIS118 4.4 21.4 1.0 CA C:SER112 4.5 18.4 1.0 O C:HOH287 4.5 39.1 1.0 O C:ALA119 4.5 19.9 1.0 CA C:MET120 4.7 19.4 1.0 NE2 C:HIS118 4.8 24.3 1.0 SD C:MET120 4.9 23.3 1.0 CA C:HIS118 5.0 21.2 1.0 C C:THR113 5.0 19.2 1.0

Sodium binding site 4 out of 4 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 Sodium with other atoms in the Na binding site number 4 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:Na185 b:55.1 occ:1.00 O C:HOH237 3.8 30.0 1.0 N C:GLU163 4.0 31.9 1.0 CA C:PRO162 4.2 30.1 1.0 CE C:LYS157 4.3 31.3 1.0 CB C:PRO162 4.3 31.8 1.0 CG C:GLU163 4.3 36.6 1.0 C C:PRO162 4.6 30.0 1.0 CB C:GLU163 4.6 35.1 1.0 NZ C:LYS157 4.7 32.9 1.0 CD C:LYS157 4.9 30.2 1.0 CA C:GLU163 4.9 32.4 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.