Chlorine in PDB 5gqq: Structure of Alg-2/HEBP2 Complex

The structure of Structure of Alg-2/HEBP2 Complex, PDB code: 5gqq was solved by X.Liu, J.Ma, H.Zhang, Y.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.94 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.279, 78.124, 87.171, 113.71, 105.64, 93.95
R / Rfree (%)	19.4 / 22.5

The structure of Structure of Alg-2/HEBP2 Complex also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Chlorine atom in the Structure of Alg-2/HEBP2 Complex (pdb code 5gqq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Alg-2/HEBP2 Complex, PDB code: 5gqq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Alg-2/HEBP2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Alg-2/HEBP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl204 b:41.2 occ:1.00 CA C:CA201 2.4 16.9 1.0 OE2 B:GLU153 2.7 20.4 1.0 OD1 C:ASP38 2.7 24.2 1.0 O C:HOH344 2.8 30.6 1.0 OG C:SER40 3.1 18.7 1.0 OD2 C:ASP38 3.3 20.7 1.0 OE1 C:GLU47 3.3 16.9 1.0 OE2 C:GLU47 3.3 17.8 1.0 O C:VAL42 3.3 18.9 1.0 CG C:ASP38 3.4 30.6 1.0 CD C:GLU47 3.5 20.0 1.0 CD B:GLU153 3.5 25.8 1.0 CG B:GLN149 3.6 21.9 1.0 OE1 B:GLU153 3.6 24.3 1.0 CB C:SER40 4.0 22.3 1.0 NE2 B:GLN149 4.0 27.2 1.0 CB C:SER44 4.1 19.2 1.0 CD B:GLN149 4.2 28.3 1.0 OG C:SER44 4.2 18.6 1.0 N C:SER44 4.3 14.4 1.0 C C:VAL42 4.5 21.3 1.0 O C:HOH330 4.5 36.0 1.0 OD1 C:ASP36 4.6 21.0 1.0 CG C:GLU47 4.7 15.4 1.0 O C:HOH314 4.8 30.6 1.0 CB C:ASP38 4.8 26.6 1.0 CA C:SER44 4.8 17.9 1.0 CB B:GLN149 4.9 20.5 1.0 CG B:GLU153 5.0 26.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Alg-2/HEBP2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Alg-2/HEBP2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl204 b:46.0 occ:1.00 CA D:CA201 2.4 18.3 1.0 OD1 D:ASP38 2.7 24.4 1.0 O D:HOH313 2.7 31.0 1.0 OE2 A:GLU153 3.0 26.2 1.0 OE2 D:GLU47 3.2 15.6 1.0 OE1 D:GLU47 3.2 15.6 1.0 OD2 D:ASP38 3.2 24.0 1.0 CD D:GLU47 3.3 19.1 1.0 CG D:ASP38 3.3 31.4 1.0 O D:VAL42 3.4 18.1 1.0 OG D:SER40 3.4 15.1 1.0 CG A:GLN149 3.8 31.0 1.0 CD A:GLU153 3.8 28.0 1.0 OE1 A:GLU153 3.9 23.6 1.0 CB D:SER44 4.0 16.7 1.0 OG D:SER44 4.0 14.9 1.0 OE1 A:GLN149 4.1 30.1 1.0 CB D:SER40 4.3 22.7 1.0 CG D:GLU47 4.3 17.2 1.0 N D:SER44 4.4 8.7 1.0 CD A:GLN149 4.4 33.7 1.0 O D:HOH323 4.6 39.4 1.0 OD1 D:ASP36 4.6 20.8 1.0 C D:VAL42 4.6 22.5 1.0 CB A:GLN149 4.7 24.9 1.0 O D:HOH338 4.7 30.6 1.0 CB D:ASP38 4.8 28.7 1.0 CA D:SER44 4.8 15.3 1.0

J.Ma, X.Zhang, Y.Feng, H.Zhang, X.Wang, Y.Zheng, W.Qiao, X.Liu. Structural and Functional Study of Apoptosis-Linked Gene-2HEME-Binding Protein 2 Interactions in Hiv-1 Production. J. Biol. Chem. V. 291 26670 2016.
ISSN: ESSN 1083-351X
PubMed: 27784779
DOI: 10.1074/JBC.M116.752444