Atomistry » Chlorine » PDB 6ury-6v52 » 6v2f
Atomistry »
  Chlorine »
    PDB 6ury-6v52 »
      6v2f »

Chlorine in PDB 6v2f: Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207

Protein crystallography data

The structure of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207, PDB code: 6v2f was solved by T.C.Appleby, J.O.Link, S.R.Yant, A.G.Villasenor, J.R.Somoza, E.Y.Hu, S.D.Schroeder, T.Cihlar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.92 / 2.00
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 158.301, 158.301, 55.648, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 25.1

Other elements in 6v2f:

The structure of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 also contains other interesting chemical elements:

Fluorine (F) 60 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 (pdb code 6v2f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207, PDB code: 6v2f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 1 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


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 Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:29.1
occ:1.00
CL47 A:QNG300 0.0 29.1 1.0
C10 A:QNG300 1.7 24.9 1.0
C09 A:QNG300 2.7 24.5 1.0
C11 A:QNG300 2.7 22.2 1.0
N17 A:QNG300 3.1 28.6 1.0
C16 A:QNG300 3.3 25.1 1.0
CG2 A:ILE73 3.6 20.3 1.0
CG A:LYS70 3.7 34.2 1.0
OD1 A:ASN74 3.7 34.3 1.0
O A:LYS70 3.9 25.2 1.0
CB A:ILE73 3.9 21.1 1.0
ND2 A:ASN74 4.0 36.1 1.0
C12 A:QNG300 4.0 22.0 1.0
CG A:ASN74 4.0 30.1 1.0
C08 A:QNG300 4.0 22.9 1.0
N A:ASN74 4.4 21.3 1.0
CA A:LYS70 4.5 23.4 1.0
CD1 A:ILE73 4.5 19.9 1.0
C07 A:QNG300 4.5 19.6 1.0
N15 A:QNG300 4.6 24.3 1.0
C A:LYS70 4.6 26.7 1.0
S48 A:QNG300 4.7 36.0 1.0
CD A:LYS70 4.7 30.0 1.0
CB A:ALA105 4.7 23.0 1.0
CB A:LYS70 4.7 24.0 1.0
C A:ILE73 4.8 20.6 1.0
CG1 A:ILE73 4.8 20.1 1.0
CG2 A:THR107 4.9 24.5 1.0
N14 A:QNG300 4.9 23.6 1.0
O51 A:QNG300 4.9 38.9 1.0
CA A:ILE73 4.9 22.6 1.0
CA A:ASN74 4.9 25.1 1.0
CB A:ASN74 5.0 28.4 1.0

Chlorine binding site 2 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 2 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


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 Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:25.4
occ:1.00
CL47 B:QNG300 0.0 25.4 1.0
C10 B:QNG300 1.7 21.3 1.0
C09 B:QNG300 2.7 24.8 1.0
C11 B:QNG300 2.7 19.3 1.0
N17 B:QNG300 3.2 25.6 1.0
C16 B:QNG300 3.3 23.8 1.0
CG2 B:ILE73 3.5 19.8 1.0
OD1 B:ASN74 3.7 36.0 1.0
ND2 B:ASN74 3.8 31.2 1.0
O B:LYS70 3.8 19.6 1.0
CG B:LYS70 3.9 30.1 1.0
CB B:ILE73 3.9 20.8 1.0
CG B:ASN74 3.9 30.5 1.0
C12 B:QNG300 4.0 19.6 1.0
C08 B:QNG300 4.0 20.9 1.0
O B:HOH492 4.1 35.6 1.0
O B:HOH407 4.4 33.7 1.0
N B:ASN74 4.5 20.6 1.0
C07 B:QNG300 4.5 20.1 1.0
CA B:LYS70 4.5 21.4 1.0
CD B:LYS70 4.6 29.3 1.0
N15 B:QNG300 4.6 23.5 1.0
C B:LYS70 4.6 23.8 1.0
CD1 B:ILE73 4.6 18.0 1.0
CB B:ALA105 4.6 19.2 1.0
CB B:LYS70 4.7 26.9 1.0
CG2 B:THR107 4.8 22.9 1.0
S48 B:QNG300 4.8 29.3 1.0
C B:ILE73 4.8 21.5 1.0
CG1 B:ILE73 4.9 23.4 1.0
N14 B:QNG300 4.9 24.2 1.0
CA B:ILE73 4.9 20.6 1.0
CB B:ASN74 4.9 24.6 1.0
CA B:ASN74 5.0 25.1 1.0

Chlorine binding site 3 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 3 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


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 Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl300

b:26.2
occ:1.00
CL47 C:QNG300 0.0 26.2 1.0
C10 C:QNG300 1.7 18.6 1.0
C09 C:QNG300 2.7 24.9 1.0
C11 C:QNG300 2.7 18.9 1.0
N17 C:QNG300 3.2 23.9 1.0
C16 C:QNG300 3.3 23.3 1.0
CG2 C:ILE73 3.5 18.7 1.0
CG C:LYS70 3.6 36.0 1.0
ND2 C:ASN74 3.6 31.5 1.0
OD1 C:ASN74 3.8 42.1 1.0
O C:LYS70 3.8 22.1 1.0
CB C:ILE73 3.9 19.2 1.0
CG C:ASN74 3.9 34.8 1.0
C12 C:QNG300 4.0 19.5 1.0
C08 C:QNG300 4.0 20.2 1.0
O C:HOH490 4.1 34.4 1.0
CD C:LYS70 4.2 36.1 1.0
O C:HOH437 4.4 34.4 1.0
CA C:LYS70 4.5 22.0 1.0
N C:ASN74 4.5 20.8 1.0
C07 C:QNG300 4.5 19.6 1.0
CD1 C:ILE73 4.6 19.8 1.0
C C:LYS70 4.6 21.4 1.0
N15 C:QNG300 4.6 23.4 1.0
CB C:ALA105 4.6 19.7 1.0
CB C:LYS70 4.6 28.7 1.0
CG2 C:THR107 4.8 23.2 1.0
C C:ILE73 4.8 21.4 1.0
S48 C:QNG300 4.8 26.9 1.0
CG1 C:ILE73 4.8 22.0 1.0
N14 C:QNG300 4.9 24.2 1.0
CA C:ILE73 4.9 20.0 1.0
CA C:ASN74 5.0 23.0 1.0

Chlorine binding site 4 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 4 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


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 the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl300

b:30.5
occ:1.00
CL47 D:QNG300 0.0 30.5 1.0
C10 D:QNG300 1.7 24.9 1.0
C09 D:QNG300 2.7 23.7 1.0
C11 D:QNG300 2.7 22.5 1.0
N17 D:QNG300 3.1 28.4 1.0
C16 D:QNG300 3.3 26.6 1.0
CG2 D:ILE73 3.5 21.0 1.0
ND2 D:ASN74 3.7 31.0 1.0
OD1 D:ASN74 3.8 38.0 1.0
O D:LYS70 3.9 25.2 1.0
CG D:LYS70 3.9 34.5 1.0
CB D:ILE73 3.9 21.4 1.0
CG D:ASN74 3.9 31.6 1.0
C12 D:QNG300 4.0 23.0 1.0
C08 D:QNG300 4.0 24.3 1.0
O D:HOH462 4.3 34.4 1.0
N D:ASN74 4.4 23.8 1.0
CA D:LYS70 4.5 26.8 1.0
C07 D:QNG300 4.5 21.2 1.0
N15 D:QNG300 4.6 27.4 1.0
CD1 D:ILE73 4.6 19.4 1.0
CB D:LYS70 4.6 26.6 1.0
C D:LYS70 4.6 27.1 1.0
CB D:ALA105 4.7 21.8 1.0
S48 D:QNG300 4.7 35.3 1.0
C D:ILE73 4.8 23.8 1.0
CG2 D:THR107 4.8 25.2 1.0
CG1 D:ILE73 4.9 19.7 1.0
N14 D:QNG300 4.9 25.1 1.0
CB D:ASN74 4.9 29.1 1.0
CA D:ASN74 4.9 26.5 1.0
O51 D:QNG300 4.9 34.5 1.0
CD D:LYS70 4.9 30.9 1.0
CA D:ILE73 4.9 21.0 1.0
CE D:LYS70 5.0 29.4 1.0

Chlorine binding site 5 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 5 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl300

b:29.6
occ:1.00
CL47 E:QNG300 0.0 29.6 1.0
C10 E:QNG300 1.7 24.5 1.0
C09 E:QNG300 2.7 24.7 1.0
C11 E:QNG300 2.7 22.1 1.0
N17 E:QNG300 3.1 26.4 1.0
C16 E:QNG300 3.3 25.4 1.0
CG2 E:ILE73 3.5 21.9 1.0
ND2 E:ASN74 3.6 30.4 1.0
OD1 E:ASN74 3.8 35.0 1.0
CG E:ASN74 3.8 28.8 1.0
C12 E:QNG300 4.0 20.2 1.0
C08 E:QNG300 4.0 25.0 1.0
O E:LYS70 4.0 23.1 1.0
CB E:ILE73 4.0 23.9 1.0
N E:ASN74 4.5 22.4 1.0
C07 E:QNG300 4.5 20.3 1.0
N15 E:QNG300 4.6 22.6 1.0
CA E:LYS70 4.6 20.2 1.0
S48 E:QNG300 4.6 29.3 1.0
CB E:LYS70 4.7 25.4 1.0
C E:LYS70 4.7 23.5 1.0
CB E:ALA105 4.7 22.4 1.0
CE E:LYS70 4.8 27.4 1.0
CD1 E:ILE73 4.8 21.7 1.0
CG2 E:THR107 4.8 26.8 1.0
CG E:LYS70 4.8 31.0 1.0
C E:ILE73 4.9 24.6 1.0
N14 E:QNG300 4.9 24.2 1.0
CB E:ASN74 4.9 28.0 1.0
CA E:ASN74 4.9 27.6 1.0
O50 E:QNG300 4.9 31.5 1.0

Chlorine binding site 6 out of 6 in 6v2f

Go back to Chlorine Binding Sites List in 6v2f
Chlorine binding site 6 out of 6 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl300

b:29.0
occ:1.00
CL47 F:QNG300 0.0 29.0 1.0
C10 F:QNG300 1.7 23.8 1.0
C09 F:QNG300 2.7 22.2 1.0
C11 F:QNG300 2.7 22.7 1.0
N17 F:QNG300 3.1 24.2 1.0
C16 F:QNG300 3.3 24.8 1.0
CG2 F:ILE73 3.5 20.4 1.0
OD1 F:ASN74 3.7 35.1 1.0
ND2 F:ASN74 3.8 31.4 1.0
CG F:ASN74 3.9 27.5 1.0
O F:LYS70 4.0 22.4 1.0
C12 F:QNG300 4.0 21.7 1.0
C08 F:QNG300 4.0 24.3 1.0
CB F:ILE73 4.0 20.6 1.0
N F:ASN74 4.5 20.5 1.0
C07 F:QNG300 4.5 21.4 1.0
N15 F:QNG300 4.6 23.0 1.0
CG F:LYS70 4.6 31.4 1.0
CA F:LYS70 4.6 20.6 1.0
S48 F:QNG300 4.7 27.0 1.0
C F:LYS70 4.7 23.7 1.0
CB F:ALA105 4.7 20.8 1.0
CB F:LYS70 4.8 25.6 1.0
CD1 F:ILE73 4.8 22.8 1.0
CE F:LYS70 4.8 27.8 1.0
C F:ILE73 4.8 22.8 1.0
CG2 F:THR107 4.8 26.3 1.0
N14 F:QNG300 4.9 22.9 1.0
CB F:ASN74 4.9 26.8 1.0
CA F:ASN74 4.9 25.0 1.0
O51 F:QNG300 4.9 31.9 1.0

Reference:

J.O.Link, M.S.Rhee, W.C.Tse, J.Zheng, J.R.Somoza, W.Rowe, R.Begley, A.Chiu, A.Mulato, D.Hansen, E.Singer, L.K.Tsai, R.A.Bam, C.H.Chou, E.Canales, G.Brizgys, J.R.Zhang, J.Li, M.Graupe, P.Morganelli, Q.Liu, Q.Wu, R.L.Halcomb, R.D.Saito, S.D.Schroeder, S.E.Lazerwith, S.Bondy, D.Jin, M.Hung, N.Novikov, X.Liu, A.G.Villasenor, C.E.Cannizzaro, E.Y.Hu, R.L.Anderson, T.C.Appleby, B.Lu, J.Mwangi, A.Liclican, A.Niedziela-Majka, G.A.Papalia, M.H.Wong, S.A.Leavitt, Y.Xu, D.Koditek, G.J.Stepan, H.Yu, N.Pagratis, S.Clancy, S.Ahmadyar, T.Z.Cai, S.Sellers, S.A.Wolckenhauer, J.Ling, C.Callebaut, N.Margot, R.R.Ram, Y.P.Liu, R.Hyland, G.I.Sinclair, P.J.Ruane, G.E.Crofoot, C.K.Mcdonald, D.M.Brainard, L.Lad, S.Swaminathan, W.I.Sundquist, R.Sakowicz, A.E.Chester, W.E.Lee, E.S.Daar, S.R.Yant, T.Cihlar. Clinical Targeting of Hiv Capsid Protein with A Long-Acting Small Molecule. Nature V. 584 614 2020.
ISSN: ESSN 1476-4687
PubMed: 32612233
DOI: 10.1038/S41586-020-2443-1
Page generated: Sat Jul 12 20:41:39 2025

Last articles

Na in 1S3X
Na in 1S36
Na in 1S0A
Na in 1S1K
Na in 1S09
Na in 1RZT
Na in 1S08
Na in 1S07
Na in 1S06
Na in 1RYS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy