Atomistry » Iodine » PDB 7px1-7se4 » 7rao
Atomistry »
  Iodine »
    PDB 7px1-7se4 »
      7rao »

Iodine in PDB 7rao: Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer

Protein crystallography data

The structure of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rao was solved by S.M.Bester, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.22 / 2.29
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 158.962, 158.962, 57.711, 90, 90, 120
R / Rfree (%) 21.6 / 24.4

Other elements in 7rao:

The structure of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer also contains other interesting chemical elements:

Chlorine (Cl) 12 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer (pdb code 7rao). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 10 binding sites of Iodine where determined in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer, PDB code: 7rao:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 1 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:40.1
occ:1.00
 N A:LYS158 3.6 37.9 1.0
CD A:PRO157 3.8 46.9 1.0
CA A:GLY156 3.8 37.3 1.0
N A:GLU159 3.8 40.2 1.0
N A:PRO157 3.9 36.6 1.0
C A:GLY156 4.0 41.0 1.0
C A:LYS158 4.0 40.5 1.0
CA A:LYS158 4.2 44.7 1.0
CG A:PRO157 4.3 53.1 1.0
CB A:GLU159 4.3 37.3 1.0
CB A:LYS158 4.3 40.4 1.0
CA A:GLU159 4.4 36.9 1.0
C A:PRO157 4.7 42.2 1.0
O A:LYS158 4.7 43.3 1.0
O A:GLY156 4.7 36.5 1.0
CA A:PRO157 4.8 44.6 1.0
N A:GLY156 4.9 34.2 1.0

Iodine binding site 2 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 2 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:106.4
occ:1.00
 NE A:ARG162 3.6 46.8 1.0
CE A:MET215 3.9 46.9 1.0
NH2 A:ARG162 3.9 51.0 1.0
CB A:ARG162 4.1 40.8 1.0
CZ A:ARG162 4.1 56.2 1.0
O A:MET215 4.2 39.6 1.0
O A:HOH460 4.2 34.9 1.0
CG A:ARG162 4.3 48.4 1.0
CB A:MET215 4.4 34.6 1.0
CD A:ARG162 4.4 55.7 1.0
C A:MET215 4.7 41.0 1.0
O A:HOH495 4.8 47.5 1.0

Iodine binding site 3 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 3 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:34.6
occ:1.00
 O A:HOH406 3.5 41.8 1.0
NH1 A:ARG173 3.7 27.2 1.0
CD A:ARG173 3.9 27.9 1.0
NZ A:LYS170 3.9 53.5 1.0
OE1 A:GLU35 4.0 31.0 1.0
CG A:LYS170 4.0 25.8 1.0
CB A:LYS170 4.4 21.9 1.0
CA A:LYS170 4.5 24.1 1.0
CG A:PRO34 4.5 31.8 1.0
CD A:PRO34 4.5 27.5 1.0
CZ A:ARG173 4.6 26.3 1.0
NE A:ARG173 4.7 27.3 1.0
CB A:PRO34 4.7 29.8 1.0
OG A:SER33 4.7 34.6 1.0
CD A:LYS170 4.8 34.5 1.0
O A:LYS170 4.9 26.3 1.0
CG A:ARG173 4.9 32.6 1.0
CE A:LYS170 4.9 37.0 1.0
CD A:GLU35 4.9 28.2 1.0
CB A:ARG173 5.0 25.2 1.0

Iodine binding site 4 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 4 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I301

b:41.8
occ:1.00
 N B:LYS158 3.6 39.9 1.0
CA B:GLY156 3.7 35.4 1.0
CD B:PRO157 3.7 48.4 1.0
N B:GLU159 3.8 37.4 1.0
N B:PRO157 3.8 34.9 1.0
C B:GLY156 3.9 39.9 1.0
C B:LYS158 4.0 42.5 1.0
CB B:GLU159 4.1 43.6 1.0
CA B:LYS158 4.2 40.8 1.0
CG B:PRO157 4.2 51.9 1.0
CA B:GLU159 4.3 36.3 1.0
CB B:LYS158 4.4 49.2 1.0
O B:GLY156 4.6 35.7 1.0
C B:PRO157 4.7 45.8 1.0
O B:LYS158 4.7 41.2 1.0
CA B:PRO157 4.8 44.2 1.0
N B:GLY156 4.8 39.7 1.0

Iodine binding site 5 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 5 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I302

b:77.3
occ:1.00
 O B:HOH451 3.3 43.2 1.0
NE B:ARG162 3.4 46.1 1.0
NH1 B:ARG162 3.5 46.4 1.0
CZ B:ARG162 3.9 55.0 1.0
CE B:MET215 3.9 43.9 1.0
O B:HOH471 4.3 33.2 1.0
O B:MET215 4.3 38.5 1.0
CB B:ARG162 4.3 31.9 1.0
CB B:MET215 4.5 38.5 1.0
CD B:ARG162 4.5 54.4 1.0
CG B:ARG162 4.6 41.0 1.0
C B:MET215 4.8 38.8 1.0

Iodine binding site 6 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 6 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I306

b:44.9
occ:1.00
 O B:HOH422 3.2 31.4 1.0
NH1 B:ARG173 3.7 30.3 1.0
CD B:ARG173 3.9 26.3 1.0
NZ B:LYS170 4.0 56.9 1.0
CG B:LYS170 4.0 28.4 1.0
OE1 B:GLU35 4.1 27.6 1.0
CB B:LYS170 4.4 25.4 1.0
CA B:LYS170 4.5 26.6 1.0
CZ B:ARG173 4.6 30.1 1.0
NE B:ARG173 4.6 28.2 1.0
CD B:LYS170 4.8 42.5 1.0
CD B:PRO34 4.8 33.8 1.0
OG B:SER33 4.8 49.6 1.0
CG B:PRO34 4.9 35.0 1.0
O B:LYS170 4.9 29.6 1.0
CG B:ARG173 4.9 25.0 1.0
CE B:LYS170 4.9 46.5 1.0
CB B:ARG173 5.0 30.9 1.0
CD B:GLU35 5.0 27.3 1.0

Iodine binding site 7 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 7 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I301

b:38.1
occ:1.00
 N C:LYS158 3.7 38.5 1.0
N C:GLU159 3.8 38.3 1.0
CA C:GLY156 3.8 35.3 1.0
CD C:PRO157 3.9 40.5 1.0
C C:LYS158 4.0 43.8 1.0
C C:GLY156 4.1 34.9 1.0
N C:PRO157 4.1 33.9 1.0
CA C:LYS158 4.2 35.2 1.0
CB C:LYS158 4.2 38.5 1.0
CB C:GLU159 4.2 33.9 1.0
CA C:GLU159 4.4 34.7 1.0
CG C:PRO157 4.4 42.8 1.0
O C:LYS158 4.6 51.7 1.0
C C:PRO157 4.8 37.7 1.0
O C:GLY156 4.8 36.0 1.0
N C:GLY156 4.9 33.0 1.0
CA C:PRO157 4.9 35.2 1.0

Iodine binding site 8 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 8 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I302

b:144.1
occ:1.00
 CB C:ARG162 4.4 35.4 1.0
CE C:MET215 4.4 39.6 1.0
O C:MET215 4.4 41.1 1.0
O C:HOH494 4.5 35.1 1.0
CD C:ARG162 4.6 60.4 1.0
CB C:MET215 4.7 37.5 1.0
O C:HOH502 4.8 47.6 1.0
C C:MET215 4.9 36.8 1.0

Iodine binding site 9 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 9 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I303

b:141.1
occ:1.00
 CH2 C:TRP80 4.1 40.8 1.0
CG2 C:ILE124 4.1 37.5 1.0
CD C:PRO125 4.4 31.2 1.0
CG1 C:ILE124 4.4 40.6 1.0
CD1 C:ILE129 4.5 29.8 1.0
CB C:ILE124 4.6 40.1 1.0
CA C:ILE124 4.6 37.3 1.0
CZ2 C:TRP80 4.8 37.1 1.0

Iodine binding site 10 out of 10 in 7rao

Go back to Iodine Binding Sites List in 7rao
Iodine binding site 10 out of 10 in the Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of M66I Mutant of Disulfide Stabilized Hiv-1 Ca Hexamer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I304

b:35.9
occ:1.00
 O C:HOH411 3.5 35.1 1.0
NH1 C:ARG173 3.7 33.9 1.0
CD C:ARG173 3.9 30.5 1.0
CG C:LYS170 4.0 30.6 1.0
OE1 C:GLU35 4.2 23.6 1.0
CB C:LYS170 4.4 28.8 1.0
CA C:LYS170 4.4 30.8 1.0
CZ C:ARG173 4.6 30.7 1.0
NE C:ARG173 4.6 31.8 1.0
CD C:LYS170 4.7 45.2 1.0
CG C:PRO34 4.8 31.5 1.0
CD C:PRO34 4.8 30.8 1.0
O C:LYS170 4.8 31.1 1.0
CE C:LYS170 4.9 43.7 1.0
CG C:ARG173 4.9 30.1 1.0
CB C:ARG173 4.9 32.7 1.0
CB C:PRO34 5.0 26.6 1.0

Reference:

S.M.Bester, A.S.Annamalai, D.Adu-Ampratwum, R.Haney, J.R.Fuchs, M.Kvaratskhelia. Structural and Mechanistic Bases of Viral Resistance to Long-Acting Hiv-1 Capsid Inhibitor, Lenacapavir To Be Published.
Page generated: Mon Aug 12 02:03:55 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy