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Bromine in PDB 2hc0: Structure of Hiv Protease 6X Mutant in Complex with Ab-2.

Enzymatic activity of Structure of Hiv Protease 6X Mutant in Complex with Ab-2.

All present enzymatic activity of Structure of Hiv Protease 6X Mutant in Complex with Ab-2.:
3.4.23.16;

Protein crystallography data

The structure of Structure of Hiv Protease 6X Mutant in Complex with Ab-2., PDB code: 2hc0 was solved by H.Heaslet, A.Brik, Y.-C.Lin, J.H.Elder, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.00 / 1.30
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 86.610, 86.610, 33.660, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 16.8

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Bromine atom in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2. (pdb code 2hc0). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 14 binding sites of Bromine where determined in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2., PDB code: 2hc0:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 14 in 2hc0

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Bromine binding site 1 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4001

b:14.3
occ:1.00
 N A:THR1074 3.4 13.6 1.0
O A:HOH5217 3.4 34.4 1.0
OD1 A:ASN1088 3.4 15.9 1.0
O A:HOH5119 3.9 42.9 1.0
CA A:GLY1073 3.9 12.9 1.0
CB A:THR1074 3.9 12.6 1.0
CB A:ASN1088 3.9 10.9 1.0
OG1 A:THR1074 4.0 15.2 1.0
C A:GLY1073 4.1 11.8 1.0
CG A:ASN1088 4.1 11.6 1.0
CA A:THR1074 4.3 11.4 1.0
O A:HOH5101 4.5 18.0 1.0
O A:ASN1088 4.8 11.6 1.0
O A:THR1074 4.9 12.7 1.0

Bromine binding site 2 out of 14 in 2hc0

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Bromine binding site 2 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4006

b:20.1
occ:1.00
 O A:HOH5071 3.4 25.1 1.0
O B:HOH5055 3.4 16.4 1.0
NE1 A:TRP1006 3.5 12.9 1.0
CZ2 A:TRP1006 4.0 11.6 1.0
CE2 A:TRP1006 4.1 12.4 1.0
CD1 A:TRP1006 4.6 12.8 1.0
CG2 A:THR1004 4.7 21.1 1.0

Bromine binding site 3 out of 14 in 2hc0

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Bromine binding site 3 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4007

b:35.2
occ:1.00
 N A:LYS1055 3.5 17.3 1.0
CA A:ILE1054 3.9 20.4 1.0
CB A:ILE1054 4.1 19.8 1.0
C A:ILE1054 4.2 17.6 1.0
CE A:LYS1055 4.2 41.8 1.0
CG A:PRO1079 4.3 21.5 0.5
O A:LYS1055 4.4 18.9 1.0
CG2 A:ILE1054 4.4 21.7 1.0
O B:HOH5248 4.4 0.9 1.0
CA A:LYS1055 4.5 17.5 1.0
CB A:LYS1055 4.5 21.8 1.0
CG A:PRO1079 4.6 20.5 0.5
O A:LEU1053 4.7 32.8 1.0
CG A:LYS1055 5.0 30.5 1.0
C A:LYS1055 5.0 16.1 1.0
O B:HOH5188 5.0 31.7 1.0

Bromine binding site 4 out of 14 in 2hc0

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Bromine binding site 4 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4011

b:22.1
occ:0.50
 C27 A:AB23500 1.9 11.9 0.5
O7 A:AB23500 2.2 30.1 0.5
O A:HOH5156 2.5 29.6 1.0
C28 A:AB23500 2.5 12.3 0.5
C26 A:AB23500 2.6 10.7 0.5
N B:GLY2148 2.9 19.3 1.0
N3 A:AB23500 3.1 11.2 0.5
CA B:ILE2147 3.5 15.1 1.0
C B:ILE2147 3.7 16.6 1.0
O B:HOH5049 3.7 26.8 1.0
CB B:ILE2147 3.8 14.2 1.0
C7 A:AB23500 3.8 10.6 0.5
C29 A:AB23500 3.8 10.9 0.5
C34 A:AB23500 3.8 9.8 0.5
C1 A:AB23500 3.8 13.7 0.5
O B:GLY2148 3.9 18.8 1.0
CA B:GLY2148 3.9 18.4 1.0
C25 A:AB23500 4.1 9.4 0.5
O A:HOH5098 4.2 21.8 1.0
CG2 B:ILE2147 4.3 12.8 1.0
C B:GLY2148 4.4 16.8 1.0
O1 A:AB23500 4.6 14.2 0.5
C6 A:AB23500 4.6 9.3 0.5
O5 A:AB23500 4.7 7.2 0.5
O A:HOH5281 4.7 85.9 1.0
O B:ILE2146 4.7 17.8 1.0
C2 A:AB23500 4.7 12.2 0.5
N B:ILE2147 4.8 16.0 1.0
O A:HOH5122 4.9 45.1 1.0
O B:ILE2147 4.9 20.5 1.0
O6 A:AB23500 5.0 7.4 0.5

Bromine binding site 5 out of 14 in 2hc0

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Bromine binding site 5 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4011

b:25.6
occ:0.50
 O7 A:AB23500 0.9 35.3 0.5
C27 A:AB23500 1.5 24.2 0.5
C26 A:AB23500 2.1 20.9 0.5
C28 A:AB23500 2.6 21.6 0.5
O A:HOH5094 3.0 23.3 1.0
N3 A:AB23500 3.0 20.7 0.5
N A:GLY1048 3.1 19.1 1.0
O6 A:AB23500 3.3 26.6 0.5
O A:HOH5066 3.3 47.1 1.0
C25 A:AB23500 3.4 21.6 0.5
C34 A:AB23500 3.4 17.5 0.5
O A:GLY1048 3.5 23.1 1.0
C29 A:AB23500 3.6 19.3 0.5
C7 A:AB23500 3.7 20.2 0.5
CA A:ILE1047 3.7 13.9 1.0
C A:ILE1047 3.9 16.0 1.0
CB A:ILE1047 3.9 16.6 1.0
CA A:GLY1048 4.0 20.3 1.0
C A:GLY1048 4.2 17.7 1.0
O A:HOH5274 4.4 36.6 1.0
C6 A:AB23500 4.5 18.3 0.5
O A:HOH5109 4.5 23.6 1.0
CG2 A:ILE1047 4.6 19.8 1.0
O5 A:AB23500 4.7 21.8 0.5
C33 A:AB23500 4.8 18.7 0.5
C2 A:AB23500 4.8 19.6 0.5
O A:ILE1046 4.9 18.2 1.0
O1 A:AB23500 4.9 15.3 0.5

Bromine binding site 6 out of 14 in 2hc0

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Bromine binding site 6 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4012

b:21.9
occ:0.50
 C30 A:AB23500 1.6 10.9 0.5
C31 A:AB23500 2.3 13.7 0.5
C29 A:AB23500 2.8 10.9 0.5
O A:HOH5281 3.3 85.9 1.0
O A:HOH5271 3.4 37.2 1.0
C32 A:AB23500 3.7 13.0 0.5
C28 A:AB23500 3.7 12.3 0.5
CB A:ALA1082 3.9 29.4 1.0
C34 A:AB23500 4.0 9.8 0.5
CG A:PRO1081 4.0 22.4 1.0
C20 A:AB23500 4.1 16.6 0.5
NH1 A:ARG1008 4.2 20.1 1.0
O A:PRO1081 4.2 20.4 1.0
NH2 A:ARG1008 4.3 23.5 1.0
C19 A:AB23500 4.3 16.2 0.5
C33 A:AB23500 4.3 12.8 0.5
CB A:PRO1081 4.4 23.2 1.0
C10 A:AB23500 4.4 15.6 0.5
O B:HOH5097 4.4 20.9 1.0
CZ A:ARG1008 4.5 13.2 1.0
C A:PRO1081 4.5 21.6 1.0
O A:HOH5082 4.6 19.3 1.0
N A:ALA1082 4.8 20.3 1.0
CA A:ALA1082 4.8 20.0 1.0
C21 A:AB23500 4.8 17.6 0.5
C27 A:AB23500 4.9 11.9 0.5
O A:HOH5273 4.9 34.9 1.0

Bromine binding site 7 out of 14 in 2hc0

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Bromine binding site 7 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br4012

b:23.1
occ:0.50
 C30 A:AB23500 1.4 20.9 0.5
C31 A:AB23500 2.1 21.2 0.5
C29 A:AB23500 2.6 19.3 0.5
O B:HOH5243 3.0 39.1 1.0
O B:HOH5227 3.3 30.8 1.0
C28 A:AB23500 3.5 21.6 0.5
C32 A:AB23500 3.5 21.8 0.5
C20 A:AB23500 3.6 12.6 0.5
NH1 B:ARG2108 3.6 41.5 1.0
CB B:ALA2182 3.7 29.8 1.0
C34 A:AB23500 3.8 17.5 0.5
NH2 B:ARG2108 3.8 48.7 1.0
C11 A:AB23500 4.0 15.7 0.5
CZ B:ARG2108 4.1 34.4 1.0
C19 A:AB23500 4.1 13.8 0.5
C33 A:AB23500 4.1 18.7 0.5
O B:PRO2181 4.3 26.0 1.0
C21 A:AB23500 4.4 12.3 0.5
CB B:PRO2181 4.4 23.3 1.0
C B:PRO2181 4.5 19.3 1.0
O A:HOH5077 4.5 15.5 1.0
N B:ALA2182 4.7 19.1 1.0
O B:HOH5231 4.7 29.8 1.0
C27 A:AB23500 4.7 24.2 0.5
CA B:ALA2182 4.7 20.7 1.0
C26 A:AB23500 5.0 20.9 0.5

Bromine binding site 8 out of 14 in 2hc0

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Bromine binding site 8 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br4002

b:14.6
occ:1.00
 O B:HOH5230 3.0 35.2 1.0
N B:THR2174 3.4 12.2 1.0
OD1 B:ASN2188 3.4 14.2 1.0
O B:HOH5272 3.5 27.5 1.0
OG1 B:THR2174 3.9 14.8 1.0
CB B:THR2174 3.9 11.4 1.0
CB B:ASN2188 3.9 11.2 1.0
CA B:GLY2173 3.9 12.9 1.0
CG B:ASN2188 4.1 11.3 1.0
C B:GLY2173 4.2 13.0 1.0
CA B:THR2174 4.3 11.5 1.0
O B:HOH5118 4.3 17.9 1.0
O B:HOH5151 4.4 29.6 1.0
O B:ASN2188 4.7 12.2 1.0
O B:THR2174 4.9 12.3 1.0

Bromine binding site 9 out of 14 in 2hc0

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Bromine binding site 9 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br4003

b:18.8
occ:1.00
 N B:LEU2119 3.4 12.9 1.0
O B:HOH5127 3.4 21.1 1.0
CA B:GLN2118 3.8 12.4 1.0
C B:GLN2118 4.0 12.4 1.0
CB B:GLN2118 4.2 19.5 1.0
CB B:LEU2119 4.2 14.3 1.0
CA B:LEU2119 4.3 14.3 1.0
CG B:LEU2119 4.4 13.9 1.0
O B:GLY2117 4.6 18.7 1.0
O B:LEU2119 4.7 18.8 1.0
C B:LEU2119 5.0 14.7 1.0

Bromine binding site 10 out of 14 in 2hc0

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Bromine binding site 10 out of 14 in the Structure of Hiv Protease 6X Mutant in Complex with Ab-2.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of Hiv Protease 6X Mutant in Complex with Ab-2. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br4004

b:19.0
occ:1.00
 N B:ARG2108 3.4 13.3 1.0
O A:HOH5215 3.6 38.8 1.0
CD B:LYS2107 3.6 26.9 1.0
O B:HOH5288 3.8 47.0 1.0
CB B:LYS2107 3.9 17.2 1.0
CG B:ARG2108 3.9 14.0 1.0
CB B:ARG2108 4.0 13.6 1.0
CA B:LYS2107 4.1 13.0 1.0
C B:LYS2107 4.3 12.9 1.0
CA B:ARG2108 4.4 12.7 1.0
CG B:LYS2107 4.4 22.5 1.0
O A:HOH5115 4.5 22.7 1.0
O B:HOH5170 4.7 27.3 1.0
CD B:ARG2108 4.7 19.8 1.0
NH2 A:ARG1087 4.7 14.2 1.0
CE B:LYS2107 4.7 33.5 1.0

Reference:

H.Heaslet, A.Brik, Y.-C.Lin, J.H.Elder, C.D.Stout. Structure of Hiv Protease 6X Mutant in Complex with Ab-2 To Be Published.
Page generated: Wed Jul 10 18:06:44 2024

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