Iron in PDB 6ceq: The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor

The structure of The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor, PDB code: 6ceq was solved by B.R.Crane, T.K.Chua, N.Sukomon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.17 / 1.67
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.512, 62.512, 157.024, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.6

The binding sites of Iron atom in the The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor (pdb code 6ceq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor, PDB code: 6ceq:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:19.1 occ:1.00 FE A:HEM401 0.0 19.1 1.0 ND A:HEM401 1.9 19.7 1.0 NA A:HEM401 2.0 14.5 1.0 NC A:HEM401 2.1 16.7 1.0 NB A:HEM401 2.1 18.5 1.0 NE2 A:HIS226 2.3 18.0 1.0 O A:HOH580 2.6 18.9 1.0 C4D A:HEM401 2.9 16.9 1.0 C1D A:HEM401 2.9 16.6 1.0 C1A A:HEM401 2.9 21.8 1.0 C4C A:HEM401 3.0 19.5 1.0 C4A A:HEM401 3.0 20.8 1.0 C1B A:HEM401 3.1 17.8 1.0 C4B A:HEM401 3.1 19.5 1.0 CD2 A:HIS226 3.1 23.8 1.0 C1C A:HEM401 3.1 21.9 1.0 CHA A:HEM401 3.3 15.7 1.0 CHD A:HEM401 3.3 20.1 1.0 CE1 A:HIS226 3.4 26.4 1.0 CHB A:HEM401 3.5 18.2 1.0 CHC A:HEM401 3.5 17.8 1.0 C3D A:HEM401 4.1 19.1 1.0 C2D A:HEM401 4.1 21.5 1.0 C2A A:HEM401 4.1 19.7 1.0 C3A A:HEM401 4.2 21.1 1.0 C3C A:HEM401 4.2 20.5 1.0 C2C A:HEM401 4.3 20.9 1.0 C2B A:HEM401 4.3 19.2 1.0 CG A:HIS226 4.3 21.5 1.0 C3B A:HEM401 4.3 23.3 1.0 ND1 A:HIS226 4.4 22.5 1.0 CD1 A:LEU274 4.6 28.2 1.0 NE2 A:GLN232 4.8 27.8 1.0 CG A:GLN232 5.0 20.8 1.0

Iron binding site 2 out of 3 in the The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:18.8 occ:1.00 FE B:HEM401 0.0 18.8 1.0 ND B:HEM401 1.9 18.3 1.0 NA B:HEM401 2.0 15.5 1.0 NC B:HEM401 2.1 20.5 1.0 NB B:HEM401 2.1 15.3 1.0 NE2 B:HIS226 2.3 16.9 1.0 O B:HOH583 2.6 20.8 1.0 C4D B:HEM401 2.9 17.6 1.0 C1D B:HEM401 2.9 18.1 1.0 C1A B:HEM401 2.9 19.0 1.0 C4C B:HEM401 3.0 19.6 1.0 C4A B:HEM401 3.0 19.7 1.0 C1B B:HEM401 3.1 16.1 1.0 C4B B:HEM401 3.1 17.9 1.0 C1C B:HEM401 3.1 18.9 1.0 CD2 B:HIS226 3.1 17.5 1.0 CHA B:HEM401 3.3 19.5 1.0 CHD B:HEM401 3.3 17.6 1.0 CE1 B:HIS226 3.3 18.4 1.0 CHB B:HEM401 3.4 22.8 1.0 CHC B:HEM401 3.5 18.6 1.0 C3D B:HEM401 4.1 22.2 1.0 C2D B:HEM401 4.1 19.1 1.0 C2A B:HEM401 4.1 17.5 1.0 C3A B:HEM401 4.2 19.4 1.0 C3C B:HEM401 4.2 17.5 1.0 C2C B:HEM401 4.3 20.3 1.0 C2B B:HEM401 4.3 19.1 1.0 C3B B:HEM401 4.3 16.1 1.0 CG B:HIS226 4.3 18.9 1.0 ND1 B:HIS226 4.4 22.5 1.0 CD2 B:LEU274 4.7 38.3 1.0 NE2 B:GLN232 4.8 22.4 1.0 CG B:GLN232 4.9 16.2 1.0 CD1 B:LEU257 4.9 20.7 1.0

Iron binding site 3 out of 3 in the The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:24.9 occ:1.00 FE C:HEM401 0.0 24.9 1.0 ND C:HEM401 1.9 22.6 1.0 NA C:HEM401 2.0 22.6 1.0 NC C:HEM401 2.1 23.7 1.0 NB C:HEM401 2.1 21.5 1.0 NE2 C:HIS226 2.4 26.6 1.0 O C:HOH562 2.6 24.2 1.0 C4D C:HEM401 2.9 23.0 1.0 C1D C:HEM401 2.9 27.3 1.0 C1A C:HEM401 2.9 25.9 1.0 C4C C:HEM401 3.0 21.1 1.0 C4A C:HEM401 3.0 21.1 1.0 C1B C:HEM401 3.1 25.3 1.0 C4B C:HEM401 3.1 21.8 1.0 C1C C:HEM401 3.1 19.6 1.0 CD2 C:HIS226 3.2 34.4 1.0 CHA C:HEM401 3.3 23.1 1.0 CHD C:HEM401 3.3 23.3 1.0 CE1 C:HIS226 3.4 37.8 1.0 CHB C:HEM401 3.4 23.6 1.0 CHC C:HEM401 3.5 17.1 1.0 C3D C:HEM401 4.1 29.6 1.0 C2D C:HEM401 4.1 23.4 1.0 C2A C:HEM401 4.1 28.7 1.0 C3A C:HEM401 4.2 27.5 1.0 C3C C:HEM401 4.2 22.8 1.0 C2C C:HEM401 4.3 23.3 1.0 C2B C:HEM401 4.3 26.3 1.0 C3B C:HEM401 4.3 20.2 1.0 CG C:HIS226 4.4 36.3 1.0 ND1 C:HIS226 4.5 35.1 1.0 CD2 C:LEU274 4.7 41.2 1.0 CD1 C:LEU257 4.9 22.9 1.0 CD1 C:ILE248 5.0 24.1 1.0

S.E.Greer-Phillips, N.Sukomon, T.K.Chua, M.S.Johnson, B.R.Crane, K.J.Watts. The AER2 Receptor From Vibrio Cholerae Is A Dual Pas-Heme Oxygen Sensor. Mol. Microbiol. 2018.
ISSN: ESSN 1365-2958
PubMed: 29719085
DOI: 10.1111/MMI.13978