Chlorine in PDB 4jgs: Crystal Structure of the Xmrv Tm Retroviral Fusion Core

The structure of Crystal Structure of the Xmrv Tm Retroviral Fusion Core, PDB code: 4jgs was solved by J.D.Cook, H.Aydin, J.E.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.973, 148.420, 58.098, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.6

The binding sites of Chlorine atom in the Crystal Structure of the Xmrv Tm Retroviral Fusion Core (pdb code 4jgs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Xmrv Tm Retroviral Fusion Core, PDB code: 4jgs:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Xmrv Tm Retroviral Fusion Core


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Xmrv Tm Retroviral Fusion Core within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:24.3 occ:1.00 ND2 E:ASN515 3.1 23.6 1.0 ND2 A:ASN515 3.1 18.9 1.0 ND2 G:ASN515 3.4 19.1 1.0 CG1 E:VAL512 3.8 17.5 1.0 CB E:ASN515 3.9 17.3 1.0 CB A:ASN515 3.9 19.4 1.0 CG E:ASN515 4.0 20.0 1.0 CG A:ASN515 4.0 19.6 1.0 CA E:VAL512 4.0 18.3 1.0 CB G:ASN515 4.0 17.7 1.0 CG2 G:VAL512 4.1 16.3 1.0 CG1 G:VAL512 4.1 20.8 1.0 CG2 A:VAL512 4.1 17.4 1.0 CA A:VAL512 4.1 18.6 1.0 CG2 E:VAL512 4.1 20.6 1.0 CA G:VAL512 4.1 20.5 1.0 CG G:ASN515 4.2 18.7 1.0 CB E:VAL512 4.2 17.0 1.0 CG1 A:VAL512 4.3 17.8 1.0 CB G:VAL512 4.3 16.0 1.0 CB A:VAL512 4.3 18.0 1.0 O E:VAL512 4.5 20.3 1.0 O G:VAL512 4.6 21.7 1.0 O A:VAL512 4.6 21.6 1.0 C E:VAL512 4.7 17.8 1.0 C A:VAL512 4.9 19.3 1.0 C G:VAL512 4.9 16.3 1.0 N E:VAL512 5.0 16.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Xmrv Tm Retroviral Fusion Core


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Xmrv Tm Retroviral Fusion Core within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:23.5 occ:1.00 ND2 I:ASN515 3.1 19.2 1.0 ND2 B:ASN515 3.3 16.1 1.0 ND2 F:ASN515 3.4 18.0 1.0 CB B:ASN515 3.8 21.4 1.0 CG1 F:VAL512 3.9 24.6 1.0 CG1 B:VAL512 3.9 19.3 1.0 CB I:ASN515 3.9 17.6 1.0 CG I:ASN515 4.0 18.6 1.0 CB F:ASN515 4.0 19.0 1.0 CG B:ASN515 4.0 20.8 1.0 CA B:VAL512 4.0 20.1 1.0 CG2 F:VAL512 4.1 17.0 1.0 CA I:VAL512 4.1 18.1 1.0 CG F:ASN515 4.2 18.1 1.0 CG2 I:VAL512 4.2 16.7 1.0 CG2 B:VAL512 4.2 14.9 1.0 CG1 I:VAL512 4.2 18.8 1.0 CA F:VAL512 4.2 18.2 1.0 CB B:VAL512 4.2 18.4 1.0 CB F:VAL512 4.3 22.1 1.0 CB I:VAL512 4.4 15.8 1.0 O B:VAL512 4.4 21.9 1.0 O I:VAL512 4.5 20.5 1.0 O F:VAL512 4.6 20.0 1.0 C B:VAL512 4.7 23.1 1.0 C I:VAL512 4.9 16.4 1.0 C F:VAL512 4.9 19.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Xmrv Tm Retroviral Fusion Core


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Xmrv Tm Retroviral Fusion Core within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:17.9 occ:1.00 ND2 H:ASN515 3.2 22.9 1.0 ND2 D:ASN515 3.2 18.6 1.0 ND2 C:ASN515 3.3 20.3 1.0 CB D:ASN515 3.8 19.5 1.0 CB H:ASN515 3.9 18.0 1.0 CB C:ASN515 3.9 19.4 1.0 CG1 D:VAL512 4.0 15.3 1.0 CG D:ASN515 4.0 19.9 1.0 CG H:ASN515 4.0 17.9 1.0 CG2 C:VAL512 4.1 15.5 1.0 CA H:VAL512 4.1 17.0 1.0 CG C:ASN515 4.1 20.5 1.0 CA C:VAL512 4.1 19.4 1.0 CG2 H:VAL512 4.1 14.3 1.0 CA D:VAL512 4.1 17.1 1.0 CG1 C:VAL512 4.2 17.0 1.0 CG1 H:VAL512 4.2 18.9 1.0 CG2 D:VAL512 4.3 14.6 1.0 CB H:VAL512 4.3 14.8 1.0 CB C:VAL512 4.3 15.5 1.0 CB D:VAL512 4.3 15.7 1.0 O H:VAL512 4.4 17.3 1.0 O C:VAL512 4.4 16.9 1.0 O D:VAL512 4.4 18.5 1.0 C H:VAL512 4.7 16.2 1.0 C C:VAL512 4.8 16.7 1.0 C D:VAL512 4.8 18.3 1.0

H.Aydin, J.D.Cook, J.E.Lee. Crystal Structures of Beta- and Gammaretrovirus Fusion Proteins Reveal A Role For Electrostatic Stapling in Viral Entry. J.Virol. V. 88 143 2014.
ISSN: ISSN 0022-538X
PubMed: 24131724
DOI: 10.1128/JVI.02023-13