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Chlorine in PDB 3qeh: Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody

Protein crystallography data

The structure of Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody, PDB code: 3qeh was solved by Y.Guan, A.L.Devico, G.K.Lewis, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.59
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 125.121, 125.121, 149.902, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 25.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody (pdb code 3qeh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody, PDB code: 3qeh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3qeh

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Chlorine binding site 1 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl222

b:46.2
occ:1.00
 O A:HOH254 3.5 9.6 1.0
NH1 A:ARG94 3.6 23.6 1.0
NH2 A:ARG94 3.7 27.6 1.0
CZ A:ARG94 4.1 24.9 1.0
CZ A:PHE32 4.2 10.9 1.0
CG2 A:VAL2 4.5 20.4 1.0
CB A:TYR27 4.7 14.7 1.0
CE2 A:PHE32 4.8 10.8 1.0
CE1 A:PHE32 4.9 10.9 1.0

Chlorine binding site 2 out of 10 in 3qeh

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Chlorine binding site 2 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl214

b:51.3
occ:1.00
 N B:HIS60 3.6 22.5 1.0
CD2 B:HIS60 3.8 25.9 1.0
CA B:PRO59 3.9 21.2 1.0
NH1 B:ARG54 4.0 21.0 1.0
C B:PRO59 4.3 21.2 1.0
CB B:PRO59 4.4 22.2 1.0
CB B:HIS60 4.4 23.1 1.0
CG B:HIS60 4.5 25.9 1.0
CA B:HIS60 4.6 22.4 1.0
O B:HOH535 4.7 21.4 1.0
O B:VAL58 4.9 20.3 1.0
NE2 B:HIS60 5.0 32.4 1.0

Chlorine binding site 3 out of 10 in 3qeh

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Chlorine binding site 3 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl215

b:65.7
occ:1.00
 OE1 B:GLN45 3.9 27.6 1.0
NZ B:LYS39 4.0 38.1 1.0
CD2 B:LEU47 4.4 17.8 1.0
CE1 B:PHE62 4.5 19.8 1.0
CD B:PRO59 4.5 20.6 1.0
CZ B:PHE62 4.6 18.1 1.0
CE B:LYS39 4.7 36.2 1.0
CD B:GLN45 4.8 24.9 1.0
CD1 B:LEU37 4.9 18.9 1.0

Chlorine binding site 4 out of 10 in 3qeh

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Chlorine binding site 4 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl216

b:50.8
occ:1.00
 N B:LEU9 3.8 35.5 1.0
CB B:PRO8 3.9 36.1 1.0
N B:SER10 4.3 33.2 1.0
CB B:LEU9 4.4 35.3 1.0
CA B:PRO8 4.4 35.9 1.0
CA B:LEU9 4.6 34.1 1.0
C B:PRO8 4.6 35.1 1.0
O B:SER10 4.6 34.1 1.0
C B:LEU9 4.9 33.3 1.0
CG B:LEU9 4.9 37.9 1.0

Chlorine binding site 5 out of 10 in 3qeh

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Chlorine binding site 5 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl221

b:43.3
occ:1.00
 OH C:TYR33 3.4 28.9 1.0
ND2 C:ASN52 3.6 19.8 1.0
NH1 C:ARG99 3.8 15.9 1.0
CA C:GLY100A 3.8 29.9 1.0
N C:GLY100A 4.1 28.7 1.0
NH2 C:ARG54 4.3 56.0 1.0
NE C:ARG54 4.3 52.8 1.0
O C:HOH258 4.4 20.6 1.0
CD C:ARG99 4.5 21.0 1.0
CZ C:TYR33 4.5 25.9 1.0
CB C:ARG99 4.5 20.7 1.0
CZ C:ARG54 4.6 56.4 1.0
CE1 C:TYR33 4.8 21.2 1.0
CG C:ASN52 4.8 17.1 1.0
C C:GLY100A 4.9 30.6 1.0
CG C:ARG99 4.9 23.8 1.0
CZ C:ARG99 4.9 17.2 1.0

Chlorine binding site 6 out of 10 in 3qeh

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Chlorine binding site 6 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl222

b:58.4
occ:1.00
 O C:HOH250 3.3 7.3 1.0
NH1 C:ARG94 3.4 16.8 1.0
NH2 C:ARG94 3.8 12.1 1.0
CZ C:ARG94 4.1 15.8 1.0
CZ C:PHE32 4.1 12.3 1.0
CG2 C:VAL2 4.6 17.2 1.0
CB C:TYR27 4.6 14.9 1.0
CE1 C:PHE32 4.7 12.3 1.0
CE2 C:PHE32 4.8 11.7 1.0

Chlorine binding site 7 out of 10 in 3qeh

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Chlorine binding site 7 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl215

b:50.2
occ:1.00
 OG1 D:THR69 3.6 33.0 1.0
N D:THR69 3.8 25.5 1.0
CA D:GLY68 4.0 22.5 1.0
O D:SER67 4.1 23.1 1.0
C D:GLY68 4.4 24.2 1.0
CB D:THR69 4.5 27.7 1.0
CG2 D:THR69 4.6 27.0 1.0
O D:HOH438 4.7 18.0 1.0
O D:HOH523 4.7 30.0 1.0
CA D:THR69 4.7 26.2 1.0
C D:SER67 4.8 21.7 1.0
N D:GLY68 4.8 21.2 1.0

Chlorine binding site 8 out of 10 in 3qeh

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Chlorine binding site 8 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl215

b:63.1
occ:1.00
 N F:LEU9 3.3 40.0 1.0
CB F:PRO8 3.9 39.7 1.0
CB F:LEU9 3.9 41.8 1.0
CG F:LEU9 4.1 45.6 1.0
N F:SER10 4.1 37.7 1.0
CA F:LEU9 4.1 40.0 1.0
CA F:PRO8 4.1 39.3 1.0
C F:PRO8 4.2 39.0 1.0
CD1 F:LEU9 4.3 49.4 1.0
C F:LEU9 4.6 38.3 1.0
O F:SER10 4.9 38.7 1.0

Chlorine binding site 9 out of 10 in 3qeh

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Chlorine binding site 9 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl222

b:54.6
occ:1.00
 NH1 G:ARG94 3.5 23.6 1.0
NH2 G:ARG94 3.6 13.8 1.0
CZ G:ARG94 4.0 19.9 1.0
CZ G:PHE32 4.4 16.6 1.0
O G:HOH441 4.4 23.2 1.0
CG2 G:VAL2 4.4 20.9 1.0
CE2 G:PHE102 4.8 15.0 1.0
CB G:TYR27 4.9 13.8 1.0
O G:HOH519 4.9 27.7 1.0
CE1 G:PHE32 5.0 15.8 1.0
CE2 G:PHE32 5.0 14.1 1.0

Chlorine binding site 10 out of 10 in 3qeh

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Chlorine binding site 10 out of 10 in the Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env 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 Human N12-I15, An Adcc and Non-Neutralizing Anti- Hiv-1 Env Antibody within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl215

b:59.6
occ:1.00
 N H:HIS60 3.4 27.5 1.0
O H:HOH220 3.4 7.3 1.0
CA H:PRO59 3.9 26.8 1.0
CD2 H:HIS60 4.0 34.3 1.0
NH1 H:ARG54 4.1 25.6 1.0
C H:PRO59 4.2 27.0 1.0
CB H:HIS60 4.2 28.8 1.0
CA H:HIS60 4.4 27.9 1.0
CB H:PRO59 4.4 27.7 1.0
CG H:HIS60 4.4 31.1 1.0
O H:HOH437 4.8 8.6 1.0
O H:VAL58 4.8 24.9 1.0

Reference:

Y.Guan, A.L.Devico, G.K.Lewis, M.Pazgier. Crystal Structure of Human N12-I15, An Adcc and Non-Neutralizing Anti-Hiv-1 Env Antibody To Be Published.
Page generated: Sat Dec 12 10:04:21 2020

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