Chlorine in PDB 2q7c: Crystal Structure of IQN17

The structure of Crystal Structure of IQN17, PDB code: 2q7c was solved by V.N.Malashkevich, D.M.Eckert, L.H.Hong, P.S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.986, 39.846, 135.396, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 31

The binding sites of Chlorine atom in the Crystal Structure of IQN17 (pdb code 2q7c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of IQN17, PDB code: 2q7c:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of IQN17


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 IQN17 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.8 occ:1.00 NE2 B:GLN16 3.1 25.7 1.0 NE2 A:GLN16 3.2 16.7 1.0 NE2 C:GLN16 3.3 24.1 1.0 CG C:GLN16 3.5 19.1 1.0 CG B:GLN16 3.6 27.9 1.0 CD B:GLN16 3.8 32.6 1.0 CG A:GLN16 3.8 26.7 1.0 CD C:GLN16 3.9 20.6 1.0 CD A:GLN16 4.0 36.0 1.0 CB C:GLN16 4.0 16.8 1.0 CB A:GLN16 4.0 26.1 1.0 CD1 C:ILE19 4.0 22.8 1.0 CD1 A:ILE19 4.1 24.1 1.0 CD1 B:ILE19 4.2 24.3 1.0 CA C:GLN16 4.4 17.8 1.0 CB B:GLN16 4.4 24.1 1.0 CA A:GLN16 4.5 25.8 1.0 CA B:GLN16 4.5 22.5 1.0 OE1 B:GLN16 5.0 24.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of IQN17


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 IQN17 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:63.3 occ:1.00 CH3 B:ACE0 3.3 47.7 1.0 NH2 A:ARG1 3.4 29.4 1.0 NH1 A:ARG1 3.5 25.5 1.0 CZ A:ARG1 3.8 42.9 1.0 N B:LYS3 3.9 34.6 1.0 CB B:MET2 4.0 40.6 1.0 N B:MET2 4.1 38.5 1.0 C B:ACE0 4.4 48.2 1.0 CA B:MET2 4.4 39.8 1.0 CB B:LYS3 4.4 34.3 1.0 C B:MET2 4.5 33.5 1.0 N B:ARG1 4.7 45.7 1.0 CA B:LYS3 4.7 32.3 1.0 NE A:ARG1 5.0 31.1 1.0 CE B:MET2 5.0 37.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of IQN17


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 IQN17 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:44.5 occ:1.00 O C:HOH234 2.7 43.4 1.0 NH2 B:ARG1 3.3 30.4 1.0 NH1 B:ARG1 3.3 26.0 1.0 CG C:LYS3 3.4 57.4 1.0 N C:LYS3 3.7 29.2 1.0 CZ B:ARG1 3.7 40.7 1.0 CB C:MET2 4.0 29.9 1.0 N C:MET2 4.2 33.4 1.0 CB C:LYS3 4.3 33.1 1.0 CD C:LYS3 4.3 37.0 1.0 CA C:MET2 4.4 32.2 1.0 C C:MET2 4.4 28.9 1.0 CE C:LYS3 4.5 57.7 1.0 CA C:LYS3 4.5 32.6 1.0 O C:ACE0 4.5 30.2 1.0 N C:ARG1 4.6 36.0 1.0 C C:ACE0 4.6 34.0 1.0 CH3 C:ACE0 4.9 31.7 1.0 CG C:MET2 5.0 36.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of IQN17


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of IQN17 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:46.6 occ:1.00 NH1 C:ARG1 3.4 27.7 1.0 NH2 C:ARG1 3.6 33.2 1.0 CG A:LYS3 3.7 32.7 1.0 CE A:LYS3 3.7 36.1 1.0 CZ C:ARG1 3.9 29.5 1.0 CH3 A:ACE0 3.9 36.8 1.0 N A:LYS3 3.9 30.2 1.0 CB A:MET2 4.1 34.4 1.0 CD A:LYS3 4.2 35.9 1.0 N A:MET2 4.2 30.5 1.0 C A:ACE0 4.4 35.9 1.0 O A:ACE0 4.4 37.5 1.0 CB A:LYS3 4.5 33.1 1.0 CA A:MET2 4.5 34.6 1.0 C A:MET2 4.6 30.6 1.0 N A:ARG1 4.7 33.7 1.0 CA A:LYS3 4.8 31.9 1.0 NZ A:LYS3 4.8 48.9 1.0 CE A:MET2 4.8 38.2 1.0

D.M.Eckert, V.N.Malashkevich, L.H.Hong, P.A.Carr, P.S.Kim. Inhibiting Hiv Entry: Discovery of D-Peptide Inhibitors That Target the GP41 Coiled-Coil Pocket Cell(Cambridge,Mass.) V. 99 103 1999.
ISSN: ISSN 0092-8674
PubMed: 10520998
DOI: 10.1016/S0092-8674(00)80066-5