Iron in PDB 5iqx: 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa

The structure of 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa, PDB code: 5iqx was solved by R.Kumar, S.Lovell, K.P.Battaile, H.Yao, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.53 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.167, 47.161, 101.374, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 12.9

The structure of 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Iron atom in the 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa (pdb code 5iqx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa, PDB code: 5iqx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.9 occ:0.50 FE A:HEM201 0.0 5.9 0.5 FE A:HEM201 0.1 5.8 0.5 NC A:HEM201 1.9 5.2 0.5 NB A:HEM201 2.0 5.8 0.5 NB A:HEM201 2.0 6.4 0.5 NC A:HEM201 2.0 6.6 0.5 ND A:HEM201 2.0 5.5 0.5 NA A:HEM201 2.0 7.0 0.5 ND A:HEM201 2.0 5.2 0.5 NE2 A:HIS32 2.1 6.7 1.0 OH A:TYR75 2.1 7.2 1.0 NA A:HEM201 2.1 7.4 0.5 C4C A:HEM201 2.9 5.4 0.5 C1C A:HEM201 2.9 5.4 0.5 CZ A:TYR75 3.0 6.2 1.0 C4B A:HEM201 3.0 5.7 0.5 C1D A:HEM201 3.0 5.3 0.5 CE1 A:HIS32 3.0 7.3 1.0 C1B A:HEM201 3.0 5.8 0.5 C4C A:HEM201 3.0 6.5 0.5 C4B A:HEM201 3.0 6.2 0.5 C1C A:HEM201 3.0 6.5 0.5 C1D A:HEM201 3.0 6.3 0.5 CD2 A:HIS32 3.1 6.6 1.0 C4A A:HEM201 3.1 7.3 0.5 C1A A:HEM201 3.1 7.5 0.5 C1B A:HEM201 3.1 6.6 0.5 C4D A:HEM201 3.1 6.2 0.5 C4D A:HEM201 3.1 5.6 0.5 C4A A:HEM201 3.1 7.8 0.5 C1A A:HEM201 3.2 7.1 0.5 CHC A:HEM201 3.3 5.9 0.5 CHD A:HEM201 3.3 5.5 0.5 CHC A:HEM201 3.4 5.7 0.5 CHD A:HEM201 3.4 6.6 0.5 CHB A:HEM201 3.4 5.5 0.5 CHA A:HEM201 3.4 6.0 0.5 CHB A:HEM201 3.5 7.1 0.5 CHA A:HEM201 3.5 6.3 0.5 CE2 A:TYR75 3.7 7.2 1.0 CE1 A:TYR75 3.7 6.0 1.0 ND1 A:HIS83 4.0 6.8 1.0 ND1 A:HIS32 4.1 7.6 1.0 C3C A:HEM201 4.1 5.3 0.5 C2C A:HEM201 4.1 5.3 0.5 CG A:HIS32 4.2 6.6 1.0 C3B A:HEM201 4.2 6.7 0.5 C2D A:HEM201 4.2 5.2 0.5 C2B A:HEM201 4.3 6.1 0.5 C3B A:HEM201 4.3 6.8 0.5 C2B A:HEM201 4.3 6.9 0.5 C2C A:HEM201 4.3 6.7 0.5 C3C A:HEM201 4.3 7.4 0.5 C2A A:HEM201 4.3 9.5 0.5 C3A A:HEM201 4.3 9.2 0.5 C3D A:HEM201 4.3 6.0 0.5 C2D A:HEM201 4.3 7.1 0.5 C3D A:HEM201 4.3 7.4 0.5 C3A A:HEM201 4.4 8.5 0.5 C2A A:HEM201 4.4 8.1 0.5 CE1 A:HIS83 4.7 7.6 1.0 CG A:HIS83 4.7 6.5 1.0 CB A:HIS83 4.9 6.2 1.0 CD2 A:TYR75 4.9 6.8 1.0 CD1 A:TYR75 4.9 5.8 1.0

Iron binding site 2 out of 2 in the 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.05A Resolution Structure of Holo Hasap (R33A) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.8 occ:0.50 FE A:HEM201 0.0 5.8 0.5 FE A:HEM201 0.1 5.9 0.5 ND A:HEM201 1.9 5.2 0.5 ND A:HEM201 2.0 5.5 0.5 NA A:HEM201 2.0 7.0 0.5 NC A:HEM201 2.0 5.2 0.5 NA A:HEM201 2.0 7.4 0.5 NB A:HEM201 2.0 5.8 0.5 NC A:HEM201 2.1 6.6 0.5 NE2 A:HIS32 2.1 6.7 1.0 OH A:TYR75 2.1 7.2 1.0 NB A:HEM201 2.1 6.4 0.5 C4D A:HEM201 2.9 6.2 0.5 C1D A:HEM201 2.9 6.3 0.5 C1A A:HEM201 3.0 7.5 0.5 CZ A:TYR75 3.0 6.2 1.0 C1D A:HEM201 3.0 5.3 0.5 C4D A:HEM201 3.0 5.6 0.5 C4A A:HEM201 3.0 7.8 0.5 C1A A:HEM201 3.0 7.1 0.5 C4C A:HEM201 3.0 5.4 0.5 CE1 A:HIS32 3.0 7.3 1.0 C4C A:HEM201 3.0 6.5 0.5 C1B A:HEM201 3.0 6.6 0.5 C1C A:HEM201 3.1 5.4 0.5 CD2 A:HIS32 3.1 6.6 1.0 C4B A:HEM201 3.1 5.7 0.5 C4A A:HEM201 3.1 7.3 0.5 C1C A:HEM201 3.1 6.5 0.5 C1B A:HEM201 3.1 5.8 0.5 C4B A:HEM201 3.2 6.2 0.5 CHA A:HEM201 3.3 6.0 0.5 CHD A:HEM201 3.3 6.6 0.5 CHA A:HEM201 3.4 6.3 0.5 CHD A:HEM201 3.4 5.5 0.5 CHB A:HEM201 3.4 7.1 0.5 CHC A:HEM201 3.4 5.9 0.5 CHB A:HEM201 3.5 5.5 0.5 CHC A:HEM201 3.5 5.7 0.5 CE2 A:TYR75 3.7 7.2 1.0 CE1 A:TYR75 3.8 6.0 1.0 ND1 A:HIS83 3.9 6.8 1.0 ND1 A:HIS32 4.1 7.6 1.0 C3D A:HEM201 4.1 7.4 0.5 C2D A:HEM201 4.2 7.1 0.5 CG A:HIS32 4.2 6.6 1.0 C2A A:HEM201 4.2 9.5 0.5 C3D A:HEM201 4.2 6.0 0.5 C2D A:HEM201 4.2 5.2 0.5 C3A A:HEM201 4.2 8.5 0.5 C2A A:HEM201 4.2 8.1 0.5 C3C A:HEM201 4.3 5.3 0.5 C3A A:HEM201 4.3 9.2 0.5 C2C A:HEM201 4.3 5.3 0.5 C3B A:HEM201 4.3 6.7 0.5 C2B A:HEM201 4.3 6.9 0.5 C3C A:HEM201 4.3 7.4 0.5 C2C A:HEM201 4.3 6.7 0.5 C2B A:HEM201 4.4 6.1 0.5 C3B A:HEM201 4.4 6.8 0.5 CE1 A:HIS83 4.6 7.6 1.0 CG A:HIS83 4.7 6.5 1.0 CB A:HIS83 4.8 6.2 1.0 CD2 A:TYR75 5.0 6.8 1.0 CD1 A:TYR75 5.0 5.8 1.0

R.Kumar, Y.Qi, H.Matsumura, S.Lovell, H.Yao, K.P.Battaile, W.Im, P.Moenne-Loccoz, M.Rivera. Replacing Arginine 33 For Alanine in the Hemophore Hasa From Pseudomonas Aeruginosa Causes Closure of the H32 Loop in the Apo-Protein. Biochemistry V. 55 2622 2016.
ISSN: ISSN 0006-2960
PubMed: 27074415
DOI: 10.1021/ACS.BIOCHEM.6B00239