Cadmium in PDB 5iqw: 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa

The structure of 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa, PDB code: 5iqw 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)	33.31 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.781, 92.781, 95.714, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.2

The binding sites of Cadmium atom in the 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa (pdb code 5iqw). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa, PDB code: 5iqw:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:37.9 occ:1.00 O A:HOH315 2.1 33.0 1.0 O A:ACT201 2.3 44.9 1.0 OD2 A:ASP96 2.3 42.1 1.0 OE2 A:GLU113 2.3 29.9 1.0 OXT A:ACT201 2.5 39.4 1.0 C A:ACT201 2.7 65.2 1.0 OD1 A:ASP96 2.8 49.2 1.0 CG A:ASP96 2.9 41.8 1.0 CD A:GLU113 3.1 35.9 1.0 OE1 A:GLU113 3.3 36.1 1.0 CH3 A:ACT201 4.2 56.2 1.0 OH A:TYR11 4.2 42.6 1.0 CB A:ASP96 4.3 37.5 1.0 CE2 A:TYR26 4.4 42.7 1.0 CG A:GLU113 4.5 28.4 1.0 CD2 A:TYR26 4.5 44.1 1.0 O A:HOH325 4.5 57.1 1.0

Cadmium binding site 2 out of 3 in the 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:41.2 occ:1.00 N A:SER2 2.3 36.2 1.0 O A:SER2 2.5 30.1 1.0 OG A:SER2 2.6 65.6 1.0 CA A:SER2 3.1 40.2 1.0 C A:SER2 3.1 28.0 1.0 CB A:SER2 3.5 53.6 1.0 ND2 A:ASN118 3.9 44.9 1.0 CG A:ASN118 4.4 34.7 1.0 N A:ILE3 4.5 35.3 1.0 CB A:ASN118 4.6 35.4 1.0

Cadmium binding site 3 out of 3 in the 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of 1.95A Resolution Structure of Apo Hasap (R33A) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:84.2 occ:1.00 NE2 A:HIS74 2.4 40.0 1.0 OD2 A:ASP72 2.6 67.7 1.0 OD1 A:ASP72 2.8 63.1 1.0 CE1 A:HIS74 2.8 57.5 1.0 CG A:ASP72 3.0 52.6 1.0 CD2 A:HIS74 3.7 54.6 1.0 ND1 A:HIS74 4.1 48.8 1.0 CB A:ASP72 4.5 48.7 1.0 CG A:HIS74 4.6 40.7 1.0 O A:ASP72 4.9 40.3 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