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Iodine in PDB 6b2j: E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)

Protein crystallography data

The structure of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form), PDB code: 6b2j was solved by A.T.Gres, K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.00 / 2.21
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 92.493, 92.493, 57.748, 90.00, 90.00, 120.00
R / Rfree (%) 20.2 / 22.3

Other elements in 6b2j:

The structure of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) (pdb code 6b2j). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 10 binding sites of Iodine where determined in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form), PDB code: 6b2j:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 10 in 6b2j

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Iodine binding site 1 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


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Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:61.8
occ:0.94
 N A:LYS158 3.8 64.8 1.0
CD A:PRO157 3.9 64.5 1.0
CA A:GLY156 3.9 56.4 1.0
N A:GLU159 3.9 58.1 1.0
C A:GLY156 4.0 57.7 1.0
N A:PRO157 4.0 60.6 1.0
C A:LYS158 4.2 62.0 1.0
CB A:LYS158 4.3 72.4 1.0
CB A:GLU159 4.3 54.8 1.0
CA A:LYS158 4.3 66.1 1.0
CA A:GLU159 4.4 55.5 1.0
CG A:PRO157 4.4 70.0 1.0
O A:GLY156 4.6 54.1 1.0
C A:PRO157 4.9 64.7 1.0
O A:LYS158 5.0 62.6 1.0
CA A:PRO157 5.0 63.3 1.0
N A:GLY156 5.0 52.5 1.0

Iodine binding site 2 out of 10 in 6b2j

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Iodine binding site 2 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:52.2
occ:0.79
 NH1 A:ARG173 3.7 46.5 1.0
CG A:LYS170 4.0 58.2 1.0
CD A:ARG173 4.0 43.2 1.0
OE1 A:GLU35 4.1 56.8 1.0
CG A:PRO34 4.4 53.9 1.0
CE A:LYS170 4.5 70.7 1.0
CD A:PRO34 4.5 54.5 1.0
CA A:LYS170 4.5 49.0 1.0
CD A:LYS170 4.6 63.0 1.0
CB A:PRO34 4.6 51.9 1.0
CB A:LYS170 4.6 53.5 1.0
CZ A:ARG173 4.6 44.4 1.0
NE A:ARG173 4.8 45.3 1.0
O A:LYS170 4.8 48.0 1.0
OG A:SER33 4.8 60.6 1.0

Iodine binding site 3 out of 10 in 6b2j

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Iodine binding site 3 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:63.8
occ:0.52
 OG A:SER41 3.5 47.8 0.6
O A:HOH488 3.6 75.3 1.0
CG2 A:ILE37 3.9 50.3 1.0
CA A:PRO38 3.9 49.1 1.0
N A:PRO38 4.0 47.8 1.0
O A:ILE37 4.2 46.1 1.0
C A:ILE37 4.2 46.0 1.0
CB A:PRO38 4.3 49.1 1.0
CB A:SER41 4.3 48.4 0.4
CB A:SER41 4.3 48.5 0.6
O A:HOH472 4.3 68.9 1.0
CD A:PRO38 4.4 49.1 1.0
CD1 A:ILE135 4.6 54.2 1.0
OG A:SER41 4.7 49.9 0.4
CB A:ILE37 4.8 50.1 1.0
CG A:PRO38 4.8 51.1 1.0
CG2 A:ILE135 4.9 51.3 1.0
CL A:CL312 5.0 79.6 1.0

Iodine binding site 4 out of 10 in 6b2j

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Iodine binding site 4 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:91.2
occ:0.55
 NE A:ARG18 3.3 77.7 1.0
CD A:ARG18 3.5 72.8 1.0
CZ A:ARG18 4.3 81.7 1.0
NH2 A:ARG18 4.7 84.5 1.0
CG A:ARG18 4.8 65.7 1.0
CB A:ARG18 4.9 61.6 1.0

Iodine binding site 5 out of 10 in 6b2j

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Iodine binding site 5 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:73.7
occ:0.48
 SD A:MET144 3.3 81.7 1.0
CG A:MET144 3.7 73.7 1.0
O A:MET144 4.4 64.4 1.0
CE A:MET144 4.8 78.1 1.0
CE1 A:TYR145 4.8 73.4 1.0

Iodine binding site 6 out of 10 in 6b2j

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Iodine binding site 6 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:85.9
occ:0.55
 O A:HOH459 3.1 59.9 1.0
CD A:ARG18 3.6 72.8 1.0
CG A:ARG18 3.6 65.7 1.0
NH1 A:ARG18 3.8 82.4 1.0
CB A:ALA22 4.5 48.4 1.0
NE A:ARG18 4.5 77.7 1.0
CZ A:ARG18 4.6 81.7 1.0
O A:ARG18 4.8 52.2 1.0

Iodine binding site 7 out of 10 in 6b2j

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Iodine binding site 7 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I307

b:0.1
occ:0.65
 O A:HOH494 3.9 68.4 1.0
CD A:PRO125 4.0 64.8 1.0
CG2 A:ILE124 4.1 63.9 1.0
CH2 A:TRP80 4.4 65.7 1.0
CD1 A:ILE129 4.5 58.5 1.0
CA A:ILE124 4.5 66.9 1.0
O A:HOH496 4.5 69.2 1.0
CL A:CL313 4.6 94.5 1.0
CB A:ILE124 4.7 66.7 1.0
CG1 A:ILE124 4.9 73.2 1.0
CG A:PRO125 4.9 64.5 1.0
CZ3 A:TRP80 5.0 63.0 1.0
N A:PRO125 5.0 62.3 1.0

Iodine binding site 8 out of 10 in 6b2j

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Iodine binding site 8 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I308

b:85.2
occ:0.39
 CA A:ARG173 3.7 44.9 1.0
NZ A:LYS182 3.8 57.4 1.0
N A:ARG173 3.9 44.3 1.0
CD A:LYS182 4.0 54.5 1.0
CB A:ARG173 4.1 43.7 1.0
CG A:LEU172 4.1 47.8 1.0
C A:LEU172 4.2 44.5 1.0
CD2 A:LEU172 4.2 49.2 1.0
O A:LEU172 4.3 45.8 1.0
O A:HOH422 4.4 55.9 1.0
CG A:ARG173 4.5 43.9 1.0
CB A:LEU172 4.5 44.5 1.0
CE A:LYS182 4.5 54.4 1.0
O A:TYR169 4.8 43.2 1.0
O A:HOH452 4.9 59.9 1.0
C A:ARG173 5.0 45.6 1.0

Iodine binding site 9 out of 10 in 6b2j

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Iodine binding site 9 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I309

b:1.0
occ:0.44
 O A:HOH482 3.0 58.3 1.0
NH1 A:ARG167 3.6 54.8 1.0
CD1 A:ILE153 3.8 49.7 1.0
O A:HOH487 3.9 67.2 1.0
CD A:ARG167 4.0 52.7 1.0
CG2 A:THR148 4.3 73.9 1.0
CB A:ARG167 4.4 45.8 1.0
CG A:ARG167 4.5 50.5 1.0
CZ A:ARG167 4.6 55.2 1.0
OG1 A:THR171 4.7 50.1 1.0
NE A:ARG167 4.8 53.7 1.0
OG1 A:THR148 4.8 72.7 1.0
O A:HOH416 5.0 61.0 1.0
CB A:THR148 5.0 70.3 1.0

Iodine binding site 10 out of 10 in 6b2j

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Iodine binding site 10 out of 10 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I310

b:0.2
occ:0.62
 N A:ARG162 3.3 53.9 1.0
CB A:ARG162 3.6 59.0 1.0
CA A:GLN219 3.7 81.7 1.0
N A:PHE161 3.8 54.1 1.0
CB A:PHE161 3.9 52.3 1.0
CA A:ARG162 4.0 53.7 1.0
O A:CYS218 4.1 73.8 1.0
CA A:PHE161 4.1 52.6 1.0
C A:PHE161 4.1 51.7 1.0
O A:HOH405 4.1 69.1 1.0
O A:MET215 4.1 58.7 1.0
O A:GLN219 4.2 85.0 1.0
CG A:GLN219 4.3 89.6 1.0
CB A:GLN219 4.4 85.0 1.0
N A:GLN219 4.4 76.6 1.0
C A:CYS218 4.4 70.7 1.0
C A:GLN219 4.5 84.3 1.0
C A:PRO160 4.6 55.0 1.0
NE A:ARG162 4.8 77.6 1.0
CB A:PRO160 4.9 59.5 1.0
CG A:ARG162 4.9 65.6 1.0
CG A:PHE161 5.0 50.8 1.0
CD2 A:PHE161 5.0 51.5 1.0
CA A:PRO160 5.0 57.0 1.0

Reference:

A.T.Gres, D.Liu, K.A.Kirby, S.G.Sarafianos. X-Ray Crystal Structures of P38A, P38A/T216I, E45A, and E45A/R132T Reveal the Structural Mechanism of Hiv-1 Capsid Stability To Be Published.
Page generated: Sun Aug 11 22:42:47 2024

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