Chlorine in PDB 3aha: Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q

The structure of Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q, PDB code: 3aha was solved by K.Izumi, S.Nakamura, H.Nakano, K.Shimura, Y.Sakagami, S.Oishi, S.Uchiyama, T.Ohkubo, Y.Kobayashi, N.Fujii, M.Matsuoka, E.N.Kodama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.88 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.632, 50.479, 56.154, 90.00, 90.88, 90.00
R / Rfree (%)	18.9 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q (pdb code 3aha). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q, PDB code: 3aha:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q


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 Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:15.3 occ:1.00 NE2 A:GLN41 3.3 12.5 1.0 NE2 E:GLN41 3.3 9.6 1.0 NE2 C:GLN41 3.4 12.0 1.0 CG C:GLN41 3.5 8.9 1.0 CG E:GLN41 3.6 7.6 1.0 CG A:GLN41 3.6 9.3 1.0 CD1 A:LEU44 3.8 6.9 1.0 CD1 C:LEU44 3.9 8.6 1.0 CD1 E:LEU44 3.9 7.9 1.0 CD C:GLN41 3.9 10.2 1.0 CD E:GLN41 4.0 7.2 1.0 CD A:GLN41 4.0 12.3 1.0 CA C:GLN41 4.3 6.8 1.0 CB C:GLN41 4.3 7.7 1.0 CB A:GLN41 4.5 8.6 1.0 CB E:GLN41 4.6 8.0 1.0 CA A:GLN41 4.6 8.0 1.0 CA E:GLN41 4.6 7.8 1.0 N C:GLN41 4.9 7.1 1.0 CG C:LEU44 4.9 5.3 1.0 CG A:LEU44 5.0 5.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q


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 Complex Between GP41 Fragments N36 and C34 Mutant N126K/E137Q within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1 b:12.5 occ:0.50 O D:HOH185 3.0 23.3 0.5 O D:HOH15 3.2 12.7 1.0 N D:TRP117 3.4 8.8 1.0 CD1 D:TRP117 3.7 9.4 1.0 CB D:TRP117 4.0 9.0 1.0 CH3 D:ACE116 4.1 8.4 1.0 C D:ACE116 4.2 8.6 1.0 CG D:TRP117 4.2 8.4 1.0 CA D:TRP117 4.2 9.2 1.0 NE1 D:TRP117 4.9 9.6 1.0 N D:MET118 4.9 10.3 1.0

K.Izumi, S.Nakamura, H.Nakano, K.Shimura, Y.Sakagami, S.Oishi, S.Uchiyama, T.Ohkubo, Y.Kobayashi, N.Fujii, M.Matsuoka, E.N.Kodama. Characterization of Hiv-1 Resistance to A Fusion Inhibitor, N36, Derived From the GP41 Amino Terminal Heptad Repeat. Antiviral Res. 2010.
ISSN: ISSN 0166-3542
PubMed: 20438763
DOI: 10.1016/J.ANTIVIRAL.2010.04.011