Iron in PDB 8vab: Crystal Structure of Feii/Feii Ctcadd From Chlamydia Trachomatis

The structure of Crystal Structure of Feii/Feii Ctcadd From Chlamydia Trachomatis, PDB code: 8vab was solved by H.N.Phan, P.D.Swartz, T.M.Makris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.11 / 2.65
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.882, 92.882, 122.743, 90, 90, 120
R / Rfree (%)	20.4 / 27.5

The binding sites of Iron atom in the Crystal Structure of Feii/Feii Ctcadd From Chlamydia Trachomatis (pdb code 8vab). 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 Feii/Feii Ctcadd From Chlamydia Trachomatis, PDB code: 8vab:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Feii/Feii Ctcadd From Chlamydia Trachomatis


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 Feii/Feii Ctcadd From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:54.6 occ:0.98 NE2 A:HIS174 2.1 54.0 1.0 ND1 A:HIS88 2.3 51.6 1.0 OE1 A:GLU81 2.4 57.3 1.0 O A:HOH425 2.5 50.0 1.0 O A:HOH426 2.6 46.3 1.0 OE2 A:GLU81 2.7 54.2 1.0 CD A:GLU81 2.9 52.7 1.0 CE1 A:HIS88 3.0 51.4 1.0 CD2 A:HIS174 3.0 50.1 1.0 CE1 A:HIS174 3.1 50.6 1.0 FE A:FE2302 3.2 54.0 1.0 CG A:HIS88 3.4 47.2 1.0 O A:HOH401 3.6 46.6 0.8 CB A:HIS88 3.9 44.8 1.0 CG A:HIS174 4.2 53.1 1.0 NE2 A:HIS88 4.2 53.4 1.0 ND1 A:HIS174 4.2 48.6 1.0 CG A:GLU81 4.4 47.8 1.0 CD2 A:HIS88 4.4 46.5 1.0 OD1 A:ASP178 4.5 49.1 1.0 OH A:TYR170 4.7 53.0 1.0 OD2 A:ASP178 4.7 48.5 1.0 CA A:GLU81 5.0 41.6 1.0 CG A:ASP178 5.0 46.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Feii/Feii Ctcadd From Chlamydia Trachomatis


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 Feii/Feii Ctcadd From Chlamydia Trachomatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:54.0 occ:1.00 OE2 A:GLU142 2.0 48.6 1.0 OD1 A:ASP178 2.1 49.1 1.0 O A:HOH401 2.3 46.6 0.8 O A:HOH426 2.4 46.3 1.0 ND1 A:HIS181 2.6 47.5 1.0 CD A:GLU142 2.9 48.2 1.0 CG A:ASP178 3.0 46.6 1.0 OD2 A:ASP178 3.2 48.5 1.0 FE A:FE2301 3.2 54.6 1.0 O A:HOH425 3.3 50.0 1.0 CE1 A:HIS181 3.4 43.9 1.0 CG A:GLU142 3.4 49.1 1.0 OE1 A:GLU81 3.7 57.3 1.0 CG A:HIS181 3.8 45.0 1.0 OE1 A:GLU142 3.9 48.5 1.0 CD2 A:HIS174 4.2 50.1 1.0 CB A:HIS181 4.2 40.5 1.0 OD1 A:ASN77 4.3 49.3 1.0 NE2 A:HIS174 4.3 54.0 1.0 ND2 A:ASN77 4.3 41.2 1.0 CB A:ASP178 4.4 48.1 1.0 NE2 A:HIS181 4.6 42.1 1.0 CD A:GLU81 4.6 52.7 1.0 CG A:ASN77 4.7 44.8 1.0 CE1 A:PHE54 4.7 41.8 1.0 OE2 A:GLU81 4.8 54.2 1.0 CA A:ASP178 4.8 48.1 1.0 CB A:GLU142 4.8 44.9 1.0 CD2 A:HIS181 4.8 43.6 1.0 CE1 A:HIS88 4.8 51.4 1.0 ND1 A:HIS88 4.9 51.6 1.0

H.N.Phan, P.D.Swartz, M.Gangopadhyay, Y.Guo, A.I.Smirnov, T.M.Makris. Assembly of A Heterobimetallic Fe/Mn Cofactor in the Para -Aminobenzoate Synthase Chlamydia Protein Associating with Death Domains (Cadd) Initiates Long-Range Radical Hole-Hopping. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 39471288
DOI: 10.1021/ACS.BIOCHEM.4C00326