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Chlorine in PDB 3tnn: Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.

Protein crystallography data

The structure of Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody., PDB code: 3tnn was solved by X.Wu, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.437, 84.505, 143.125, 90.00, 101.08, 90.00
R / Rfree (%) 19.8 / 24.5

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. (pdb code 3tnn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody., PDB code: 3tnn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 3tnn

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Chlorine binding site 1 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl224

b:72.0
occ:1.00
 N H:GLY9 3.3 30.0 1.0
OG1 H:THR107 3.4 32.8 1.0
N H:GLY8 3.5 28.4 1.0
O H:HOH481 3.6 46.9 1.0
O H:HOH419 3.7 49.6 1.0
O H:HOH371 3.8 30.8 1.0
CA H:SER7 3.9 27.7 1.0
O H:HOH584 4.0 67.2 1.0
C H:SER7 4.0 27.8 1.0
CA H:GLY9 4.0 30.0 1.0
O H:GLY9 4.1 34.8 1.0
C H:GLY9 4.2 31.9 1.0
C H:GLY8 4.3 30.1 1.0
CA H:GLY8 4.3 28.4 1.0
CB H:SER7 4.5 28.4 1.0
CB H:THR107 4.7 27.0 1.0
O H:HOH240 4.8 36.7 1.0
CD H:LYS201 4.9 49.6 1.0
N H:SER7 5.0 27.5 1.0
O H:GLU6 5.0 27.4 1.0
N H:GLY10 5.0 29.5 1.0

Chlorine binding site 2 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 2 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl225

b:75.6
occ:1.00
 N H:ARG210 3.4 44.5 1.0
CD H:LYS209 3.9 50.9 1.0
CB H:ARG210 3.9 46.7 1.0
CA H:LYS209 4.0 44.8 1.0
O H:ASP208 4.1 46.0 1.0
NH1 H:ARG210 4.1 65.5 1.0
C H:LYS209 4.2 44.5 1.0
CA H:ARG210 4.2 45.8 1.0
NZ H:LYS209 4.2 54.0 1.0
O H:ARG210 4.5 44.2 1.0
CE H:LYS209 4.7 53.4 1.0
CB H:LYS209 4.8 44.3 1.0
C H:ARG210 4.8 45.5 1.0
CG H:LYS209 4.9 48.4 1.0
C H:ASP208 4.9 45.4 1.0
N H:LYS209 5.0 44.6 1.0

Chlorine binding site 3 out of 14 in 3tnn

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Chlorine binding site 3 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl216

b:68.0
occ:1.00
 O L:HOH248 3.5 41.1 1.0
N L:GLY68 3.7 32.1 1.0
CA L:SER67 4.4 32.3 1.0
CA L:GLY68 4.4 31.8 1.0
C L:SER67 4.5 31.7 1.0
O L:LYS66 4.7 30.1 1.0

Chlorine binding site 4 out of 14 in 3tnn

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Chlorine binding site 4 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl217

b:68.3
occ:1.00
 OG1 L:THR70 3.4 30.6 1.0
O L:HOH263 3.7 45.9 1.0
N L:ASN69 3.8 30.7 1.0
CB L:ASN69 4.1 31.5 1.0
N L:THR70 4.1 28.5 1.0
CB L:THR70 4.2 30.5 1.0
CA L:ASN69 4.3 30.4 1.0
C L:ASN69 4.4 29.4 1.0
O L:SER67 4.5 33.5 1.0
CA L:THR70 4.8 29.1 1.0
C L:GLY68 4.9 30.8 1.0
ND2 L:ASN69 5.0 32.7 1.0
CG L:ASN69 5.0 34.3 1.0

Chlorine binding site 5 out of 14 in 3tnn

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Chlorine binding site 5 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:66.5
occ:1.00
 OG1 A:THR28 3.5 53.7 1.0
N A:THR28 3.7 53.5 1.0
OH A:TYR32 4.0 49.9 1.0
CA A:PHE27 4.3 53.7 1.0
CB A:THR28 4.3 53.4 1.0
CB A:PHE27 4.4 53.0 1.0
C A:PHE27 4.5 54.0 1.0
CE2 A:TYR32 4.6 48.5 1.0
CA A:THR28 4.6 52.8 1.0
CZ A:TYR32 4.8 48.8 1.0

Chlorine binding site 6 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 6 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl215

b:63.2
occ:1.00
 OH B:TYR173 3.5 50.1 1.0
NZ B:LYS167 3.6 48.0 1.0
O B:HOH234 3.6 34.8 1.0
OH B:TYR141 3.9 42.7 1.0
CE1 B:TYR141 4.0 42.7 1.0
CG2 B:THR105 4.2 44.1 1.0
OG1 B:THR105 4.2 42.5 1.0
OE2 B:GLU83 4.4 45.9 1.0
CZ B:TYR141 4.5 43.2 1.0
CZ B:TYR173 4.5 42.5 1.0
CE B:LYS167 4.6 45.9 1.0
CE2 B:TYR173 4.6 38.2 1.0
O B:HOH529 4.7 49.0 1.0
CD B:GLU83 4.8 44.6 1.0
OE1 B:GLU83 4.8 45.5 1.0
CB B:THR105 4.8 41.2 1.0

Chlorine binding site 7 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 7 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl216

b:73.1
occ:1.00
 O B:HOH496 3.9 55.1 1.0
CE1 B:HIS189 4.1 37.7 1.0
NE2 B:HIS189 4.2 35.4 1.0
NE2 B:GLN185 4.3 40.8 1.0
CG B:GLN185 4.6 36.7 1.0

Chlorine binding site 8 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 8 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


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 N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1

b:59.9
occ:1.00
 N D:LYS157 3.5 43.1 1.0
N D:ALA158 3.5 43.9 1.0
CB D:ALA158 3.9 43.4 1.0
CA D:LYS157 4.2 45.5 1.0
CA D:ALA158 4.3 43.2 1.0
C D:LYS157 4.3 45.3 1.0
CB D:LYS157 4.3 47.2 1.0
C D:VAL156 4.4 41.1 1.0
CA D:VAL156 4.4 40.8 1.0
CG1 D:VAL156 4.5 42.9 1.0

Chlorine binding site 9 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 9 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl216

b:86.2
occ:1.00
 N D:SER123 3.5 37.9 1.0
OG D:SER123 3.6 43.7 1.0
CB D:SER123 3.9 39.9 1.0
CA D:SER123 4.3 38.4 1.0
CA D:SER122 4.4 37.4 1.0
C D:SER122 4.4 37.4 1.0
OE1 D:GLU124 4.8 60.2 1.0
CB C:ALA125 4.8 49.8 1.0
CB D:SER122 4.8 37.5 1.0
O C:HOH517 4.9 47.6 1.0

Chlorine binding site 10 out of 14 in 3tnn

Go back to Chlorine Binding Sites List in 3tnn
Chlorine binding site 10 out of 14 in the Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of N5-I5 Fab, An Adcc Mediating and Non-Neutralizing CD4I Anti-Hiv- 1 Antibody. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl221

b:60.2
occ:1.00
 OH E:TYR32 3.5 40.5 1.0
N E:THR28 3.7 34.4 1.0
OG1 E:THR28 3.7 36.7 1.0
CE1 E:TYR32 4.0 33.5 1.0
CB E:PHE27 4.2 33.4 1.0
CZ E:TYR32 4.2 37.3 1.0
CB E:THR28 4.3 34.4 1.0
CA E:PHE27 4.3 33.9 1.0
O E:HOH495 4.5 40.9 1.0
C E:PHE27 4.5 34.0 1.0
CA E:THR28 4.6 34.7 1.0

Reference:

J.Guan, X.Wu, M.Pazgier, G.Lewis. Crystal Structure of N5-I5 Fab, An Adcc and Non-Neutralizing Anti-Hiv-1 Antibody To Be Published.
Page generated: Sat Dec 12 10:12:48 2020

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