Chlorine in PDB 5m3t: Structural Tuning of CD81LEL (Space Group P64)

The structure of Structural Tuning of CD81LEL (Space Group P64), PDB code: 5m3t was solved by E.S.Cunha, P.Sfriso, A.L.Rojas, P.Roversi, A.Hospital, M.Orozco, N.G.Abrescia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.65 / 2.02
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	101.300, 101.300, 35.900, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 20.8

The binding sites of Chlorine atom in the Structural Tuning of CD81LEL (Space Group P64) (pdb code 5m3t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structural Tuning of CD81LEL (Space Group P64), PDB code: 5m3t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structural Tuning of CD81LEL (Space Group P64)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Tuning of CD81LEL (Space Group P64) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:0.6 occ:1.00 HA A:ASN173 2.6 78.0 1.0 H A:CYS175 2.6 62.5 1.0 HD12 A:LEU170 2.8 85.3 1.0 O A:LEU170 3.0 67.8 1.0 HB2 A:CYS175 3.1 58.0 1.0 O A:CYS175 3.1 57.3 1.0 C A:CYS175 3.2 60.5 1.0 N A:CYS175 3.4 52.1 1.0 CA A:ASN173 3.5 65.0 1.0 HA A:LEU170 3.5 75.7 1.0 OD1 A:ASN173 3.5 97.3 1.0 CA A:CYS175 3.6 54.3 1.0 HA A:PRO176 3.6 92.7 1.0 CD1 A:LEU170 3.7 71.1 1.0 CB A:CYS175 3.8 48.4 1.0 N A:PRO176 3.8 65.5 1.0 HD11 A:LEU170 3.8 85.3 1.0 C A:ASN173 3.9 57.7 1.0 H A:ASN173 3.9 71.3 1.0 H A:LEU174 4.0 63.4 1.0 C A:LEU170 4.0 67.0 1.0 N A:LEU174 4.0 52.8 1.0 N A:ASN173 4.2 59.5 1.0 CA A:LEU170 4.2 63.1 1.0 CA A:PRO176 4.2 77.3 1.0 HD13 A:LEU170 4.2 85.3 1.0 O A:HOH411 4.3 75.3 1.0 HG A:LEU170 4.3 80.2 1.0 HB3 A:CYS175 4.4 58.0 1.0 CG A:ASN173 4.4 95.7 1.0 CB A:ASN173 4.5 75.5 1.0 CG A:LEU170 4.5 66.8 1.0 C A:LEU174 4.6 51.5 1.0 O A:ASN173 4.6 59.4 1.0 HA A:CYS175 4.6 65.2 1.0 HD3 A:PRO176 4.7 74.7 1.0 O A:VAL169 4.8 56.2 1.0 HB2 A:ASN173 4.8 90.5 1.0 CD A:PRO176 4.9 62.3 1.0 CA A:LEU174 4.9 50.9 1.0 CB A:LEU170 4.9 59.6 1.0 HZ3 A:LYS187 5.0 0.8 1.0

Chlorine binding site 2 out of 3 in the Structural Tuning of CD81LEL (Space Group P64)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Tuning of CD81LEL (Space Group P64) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:0.1 occ:1.00 H A:LYS116 2.4 0.5 1.0 HA A:ASN115 3.2 0.4 1.0 HB3 A:LYS116 3.2 89.8 1.0 N A:LYS116 3.2 87.9 1.0 HB2 A:LYS116 3.3 89.8 1.0 CB A:LYS116 3.6 74.9 1.0 O A:VAL114 3.9 96.3 1.0 HE1 B:PHE126 3.9 76.6 1.0 OD1 A:ASN115 3.9 0.6 1.0 CA A:ASN115 4.0 96.2 1.0 CA A:LYS116 4.0 77.2 1.0 C A:ASN115 4.1 86.9 1.0 H22 B:EDO302 4.2 94.7 1.0 HA A:LYS116 4.5 92.7 1.0 C A:VAL114 4.8 96.9 1.0 CE1 B:PHE126 4.8 63.9 1.0 H A:ASP117 4.8 91.0 1.0 CG A:ASN115 4.9 0.6 1.0 N A:ASN115 4.9 90.8 1.0 CB A:ASN115 5.0 0.2 1.0

Chlorine binding site 3 out of 3 in the Structural Tuning of CD81LEL (Space Group P64)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Tuning of CD81LEL (Space Group P64) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:94.5 occ:1.00 H A:THR163 2.0 51.1 1.0 HG1 A:THR163 2.4 82.4 1.0 HG23 A:THR163 2.7 73.7 1.0 N A:THR163 2.8 42.6 1.0 O A:HOH408 2.9 46.6 1.0 HA A:LEU162 3.0 48.5 1.0 OG1 A:THR163 3.2 68.6 1.0 O A:THR161 3.3 54.6 1.0 O A:HOH405 3.4 47.2 1.0 CG2 A:THR163 3.5 61.5 1.0 C A:THR161 3.5 58.2 1.0 CA A:LEU162 3.5 40.5 1.0 N A:LEU162 3.6 49.8 1.0 C A:LEU162 3.6 41.3 1.0 CB A:THR163 3.7 59.3 1.0 H A:ALA164 3.8 49.8 1.0 CA A:THR163 3.8 45.2 1.0 HG21 A:THR163 3.9 73.7 1.0 H A:LEU162 4.0 59.8 1.0 O A:SER160 4.0 54.0 1.0 HG22 A:THR163 4.2 73.7 1.0 HA A:THR161 4.2 71.5 1.0 CA A:THR161 4.5 59.5 1.0 N A:ALA164 4.5 41.5 1.0 HA A:THR163 4.5 54.3 1.0 HB A:THR163 4.6 71.2 1.0 C A:THR163 4.7 47.4 1.0 HD23 A:LEU162 4.8 60.4 1.0 O A:LEU162 4.8 41.8 1.0 C A:SER160 4.9 46.6 1.0

E.S.Cunha, P.Sfriso, A.L.Rojas, P.Roversi, A.Hospital, M.Orozco, N.G.Abrescia. Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop. Structure V. 25 53 2017.
ISSN: ISSN 1878-4186
PubMed: 27916518
DOI: 10.1016/J.STR.2016.11.003