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Chlorine in PDB 2pwm: Crystal Structure of Hiv-1 CA146 A92E Real Cell

Protein crystallography data

The structure of Crystal Structure of Hiv-1 CA146 A92E Real Cell, PDB code: 2pwm was solved by B.N.Kelly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.21 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 48.210, 58.931, 92.328, 71.51, 88.12, 83.01
R / Rfree (%) 20.4 / 27

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 CA146 A92E Real Cell (pdb code 2pwm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 CA146 A92E Real Cell, PDB code: 2pwm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2pwm

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Chlorine binding site 1 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:15.9
occ:1.00
 O A:HOH931 3.1 24.2 1.0
N A:GLU128 3.2 10.9 1.0
O A:HOH924 3.2 25.1 1.0
N A:GLY127 3.3 8.4 1.0
C A:PRO125 3.4 10.1 1.0
CA A:PRO125 3.4 11.2 1.0
CA A:GLY127 3.5 9.6 1.0
CB A:PRO125 3.6 12.4 1.0
O A:PRO125 3.6 9.0 1.0
CE A:MET118 3.6 11.3 1.0
CG A:MET118 3.6 12.1 1.0
CG A:GLU128 3.8 14.2 1.0
N A:VAL126 3.8 8.9 1.0
C A:GLY127 3.9 10.6 1.0
SD A:MET118 4.1 12.7 1.0
CB A:GLU128 4.3 12.6 1.0
CA A:GLU128 4.3 11.3 1.0
C A:VAL126 4.3 9.1 1.0
CB A:MET118 4.4 13.4 1.0
O A:ALA47 4.7 11.4 1.0
CA A:VAL126 4.7 8.5 1.0
CD A:GLU128 4.8 18.7 1.0
OE2 A:GLU128 4.8 21.5 1.0
N A:PRO125 4.9 12.8 1.0
CA A:MET118 5.0 12.8 1.0

Chlorine binding site 2 out of 8 in 2pwm

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Chlorine binding site 2 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl904

b:15.5
occ:1.00
 N B:GLU128 3.2 9.8 1.0
N B:GLY127 3.3 9.3 1.0
CA B:PRO125 3.4 10.7 1.0
C B:PRO125 3.4 10.2 1.0
CA B:GLY127 3.6 9.5 1.0
CB B:PRO125 3.7 11.1 1.0
O B:PRO125 3.7 9.4 1.0
CG B:MET118 3.7 8.8 1.0
CE B:MET118 3.7 11.4 1.0
CG B:GLU128 3.9 11.3 1.0
O B:HOH930 3.9 18.6 1.0
C B:GLY127 3.9 9.0 1.0
N B:VAL126 3.9 10.1 1.0
CB B:GLU128 4.2 10.3 1.0
CA B:GLU128 4.3 9.7 1.0
SD B:MET118 4.3 12.8 1.0
C B:VAL126 4.3 9.0 1.0
CB B:MET118 4.5 9.1 1.0
O B:HOH952 4.7 25.5 1.0
CA B:VAL126 4.7 9.6 1.0
N B:PRO125 4.8 11.7 1.0
CD B:GLU128 5.0 15.5 1.0

Chlorine binding site 3 out of 8 in 2pwm

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Chlorine binding site 3 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl901

b:15.0
occ:1.00
 O C:HOH940 2.9 31.7 1.0
N C:GLU128 3.2 8.1 1.0
N C:GLY127 3.2 6.8 1.0
CA C:PRO125 3.4 10.7 1.0
C C:PRO125 3.4 10.3 1.0
CB C:PRO125 3.6 11.3 1.0
CA C:GLY127 3.6 6.6 1.0
O C:HOH908 3.6 23.0 1.0
CE C:MET118 3.7 11.2 1.0
O C:PRO125 3.7 11.2 1.0
CG C:MET118 3.7 12.7 1.0
N C:VAL126 3.8 9.9 1.0
CG C:GLU128 3.8 11.6 1.0
C C:GLY127 3.9 8.2 1.0
CB C:GLU128 4.2 8.6 1.0
C C:VAL126 4.3 8.3 1.0
CA C:GLU128 4.3 8.9 1.0
SD C:MET118 4.3 12.7 1.0
CB C:MET118 4.4 11.8 1.0
CA C:VAL126 4.7 9.0 1.0
N C:PRO125 4.8 12.1 1.0
CD C:GLU128 4.9 14.2 1.0
CA C:MET118 5.0 11.1 1.0

Chlorine binding site 4 out of 8 in 2pwm

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Chlorine binding site 4 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl903

b:15.8
occ:1.00
 O D:HOH950 3.0 22.6 1.0
N D:GLU128 3.2 8.4 1.0
N D:GLY127 3.4 6.3 1.0
C D:PRO125 3.4 10.7 1.0
O D:HOH925 3.4 30.5 1.0
CA D:PRO125 3.4 11.2 1.0
CB D:PRO125 3.5 11.4 1.0
CG D:GLU128 3.6 10.6 1.0
O D:PRO125 3.6 9.8 1.0
CA D:GLY127 3.7 6.2 1.0
CE D:MET118 3.7 10.7 1.0
CG D:MET118 3.7 9.5 1.0
N D:VAL126 3.8 9.6 1.0
C D:GLY127 3.9 7.2 1.0
CB D:GLU128 4.1 8.9 1.0
CA D:GLU128 4.2 7.9 1.0
SD D:MET118 4.3 12.7 1.0
C D:VAL126 4.4 8.3 1.0
CB D:MET118 4.5 9.7 1.0
CD D:GLU128 4.6 14.9 1.0
CA D:VAL126 4.7 8.7 1.0
OE2 D:GLU128 4.8 20.4 1.0
N D:PRO125 4.8 12.0 1.0
O D:ALA47 4.9 9.4 1.0
CG D:PRO125 5.0 12.1 1.0

Chlorine binding site 5 out of 8 in 2pwm

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Chlorine binding site 5 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl905

b:15.6
occ:1.00
 O E:HOH935 3.0 27.6 1.0
O E:HOH929 3.2 26.1 1.0
N E:GLU128 3.2 9.3 1.0
N E:GLY127 3.3 7.7 1.0
C E:PRO125 3.4 9.9 1.0
CA E:PRO125 3.4 10.3 1.0
CA E:GLY127 3.5 8.6 1.0
CB E:PRO125 3.6 12.7 1.0
O E:PRO125 3.6 8.8 1.0
CG E:MET118 3.7 10.2 1.0
CE E:MET118 3.7 11.5 1.0
CG E:GLU128 3.8 12.9 1.0
N E:VAL126 3.8 8.2 1.0
C E:GLY127 3.9 9.2 1.0
SD E:MET118 4.2 12.2 1.0
CB E:GLU128 4.2 11.6 1.0
CA E:GLU128 4.3 9.9 1.0
C E:VAL126 4.3 8.4 1.0
CB E:MET118 4.5 12.2 1.0
CD E:GLU128 4.7 18.3 1.0
O E:ALA47 4.7 10.5 1.0
CA E:VAL126 4.7 8.1 1.0
OE2 E:GLU128 4.8 20.4 1.0
N E:PRO125 4.8 11.9 1.0
CA E:MET118 5.0 12.0 1.0

Chlorine binding site 6 out of 8 in 2pwm

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Chlorine binding site 6 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


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 Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl907

b:14.2
occ:1.00
 N F:GLU128 3.2 9.1 1.0
N F:GLY127 3.3 8.6 1.0
CA F:PRO125 3.4 10.4 1.0
C F:PRO125 3.4 9.8 1.0
CB F:PRO125 3.7 10.6 1.0
CG F:MET118 3.7 8.8 1.0
CE F:MET118 3.7 9.7 1.0
O F:PRO125 3.7 8.8 1.0
CA F:GLY127 3.7 9.2 1.0
O F:HOH938 3.9 19.7 1.0
CG F:GLU128 3.9 10.2 1.0
N F:VAL126 3.9 10.3 1.0
C F:GLY127 4.0 8.9 1.0
CB F:GLU128 4.2 9.2 1.0
SD F:MET118 4.3 11.8 1.0
CA F:GLU128 4.3 9.1 1.0
C F:VAL126 4.4 8.9 1.0
CB F:MET118 4.5 9.0 1.0
CA F:VAL126 4.7 8.8 1.0
O F:HOH961 4.8 24.7 1.0
N F:PRO125 4.9 11.8 1.0
CD F:GLU128 4.9 13.7 1.0

Chlorine binding site 7 out of 8 in 2pwm

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Chlorine binding site 7 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl908

b:16.4
occ:1.00
 O G:HOH947 2.8 30.2 1.0
N G:GLY127 3.2 8.8 1.0
N G:GLU128 3.2 8.7 1.0
C G:PRO125 3.4 11.0 1.0
CA G:PRO125 3.4 10.8 1.0
CA G:GLY127 3.6 8.4 1.0
CB G:PRO125 3.6 11.8 1.0
O G:HOH917 3.6 22.9 1.0
CG G:MET118 3.7 12.7 1.0
O G:PRO125 3.7 11.1 1.0
CE G:MET118 3.7 12.1 1.0
CG G:GLU128 3.8 13.8 1.0
N G:VAL126 3.8 9.8 1.0
C G:GLY127 3.9 8.8 1.0
CB G:GLU128 4.2 10.4 1.0
C G:VAL126 4.3 9.7 1.0
CA G:GLU128 4.3 10.0 1.0
SD G:MET118 4.3 14.1 1.0
CB G:MET118 4.4 12.4 1.0
CA G:VAL126 4.6 9.8 1.0
N G:PRO125 4.8 12.4 1.0
CD G:GLU128 4.9 16.9 1.0
CA G:MET118 5.0 11.2 1.0

Chlorine binding site 8 out of 8 in 2pwm

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Chlorine binding site 8 out of 8 in the Crystal Structure of Hiv-1 CA146 A92E Real Cell


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Hiv-1 CA146 A92E Real Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl906

b:17.6
occ:1.00
 O H:HOH958 3.1 22.2 1.0
N H:GLU128 3.1 11.2 1.0
C H:PRO125 3.4 10.0 1.0
N H:GLY127 3.4 7.4 1.0
CA H:PRO125 3.4 11.1 1.0
O H:HOH930 3.4 29.6 1.0
CB H:PRO125 3.5 11.4 1.0
O H:PRO125 3.6 8.9 1.0
CE H:MET118 3.6 11.4 1.0
CG H:GLU128 3.6 12.3 1.0
CA H:GLY127 3.7 8.5 1.0
CG H:MET118 3.7 10.4 1.0
N H:VAL126 3.8 9.7 1.0
C H:GLY127 3.9 10.2 1.0
CB H:GLU128 4.1 10.2 1.0
CA H:GLU128 4.2 10.8 1.0
SD H:MET118 4.2 12.6 1.0
C H:VAL126 4.3 8.8 1.0
CB H:MET118 4.5 10.0 1.0
CD H:GLU128 4.7 16.3 1.0
CA H:VAL126 4.7 8.3 1.0
OE2 H:GLU128 4.8 21.7 1.0
N H:PRO125 4.8 12.7 1.0
O H:ALA47 4.8 10.2 1.0

Reference:

B.N.Kelly, S.Kyere, I.Kinde, C.Tang, B.R.Howard, H.Robinson, W.I.Sundquist, M.F.Summers, C.P.Hill. Structure of the Antiviral Assembly Inhibitor Cap-1 Complex with the Hiv-1 Ca Protein. J.Mol.Biol. V. 373 355 2007.
ISSN: ISSN 0022-2836
PubMed: 17826792
DOI: 10.1016/J.JMB.2007.07.070
Page generated: Sat Jul 20 10:18:45 2024

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