Atomistry » Chlorine » PDB 6r6f-6rix » 6rgx
Atomistry »
  Chlorine »
    PDB 6r6f-6rix »
      6rgx »

Chlorine in PDB 6rgx: Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium

Protein crystallography data

The structure of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium, PDB code: 6rgx was solved by W.Hinrichs, G.J.Palm, L.Berndt, B.Girbardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.98 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.378, 68.378, 180.008, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.3

Other elements in 6rgx:

The structure of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium (pdb code 6rgx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium, PDB code: 6rgx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 1 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:34.0
occ:1.00
 OG A:SER74 3.0 23.6 1.0
N A:SER74 3.2 23.3 1.0
CB A:SER74 3.5 23.7 1.0
CB A:SER77 3.7 23.1 1.0
CA A:SER74 3.9 22.9 1.0
CA A:GLU73 4.1 26.2 1.0
C A:GLU73 4.1 24.3 1.0
OG A:SER77 4.1 23.0 1.0
CG A:GLU73 4.2 24.9 1.0
CB A:GLU73 4.7 25.8 1.0
O A:GLY72 4.8 30.2 1.0
O A:SER74 4.9 21.6 1.0
C A:SER74 4.9 22.3 1.0

Chlorine binding site 2 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 2 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:30.2
occ:1.00
 N A:LEU4 3.0 25.9 1.0
NH1 A:ARG3 3.3 39.1 1.0
CA A:ARG3 3.8 30.8 1.0
CB A:LEU4 3.9 23.2 1.0
CA A:LEU4 3.9 24.1 1.0
C A:ARG3 3.9 27.1 1.0
CD A:ARG3 3.9 38.5 1.0
C A:LEU4 4.2 26.2 1.0
CG A:LEU4 4.3 21.4 1.0
N A:ASN5 4.4 26.5 1.0
CZ A:ARG3 4.4 39.7 1.0
O A:SER2 4.4 31.4 1.0
NE A:ARG3 4.6 38.8 1.0
CB A:ARG3 4.7 34.1 1.0
CG A:ARG3 4.9 37.5 1.0
N A:ARG3 4.9 31.6 1.0
CD1 A:LEU4 4.9 20.7 1.0
O A:LEU4 4.9 27.0 1.0

Chlorine binding site 3 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 3 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:43.2
occ:1.00
 ND2 A:ASN5 3.3 34.8 1.0
N A:GLU7 3.3 28.6 1.0
CB A:GLU7 3.7 33.6 1.0
CB A:ASN5 3.7 29.6 1.0
N A:ARG6 3.8 27.6 1.0
CB A:ARG6 3.9 32.8 1.0
CG A:ASN5 4.0 31.4 1.0
CA A:GLU7 4.1 29.5 1.0
CA A:ARG6 4.2 28.4 1.0
C A:ARG6 4.2 27.2 1.0
C A:ASN5 4.3 27.0 1.0
CA A:ASN5 4.6 27.7 1.0
OE1 A:GLU7 4.8 46.7 1.0

Chlorine binding site 4 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 4 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:38.2
occ:1.00
 O A:HOH485 2.9 24.3 1.0
O A:HOH486 3.1 32.8 1.0
N A:THR27 3.2 20.9 1.0
OG1 A:THR27 3.5 22.8 1.0
CA A:THR26 3.6 24.7 1.0
CB A:THR26 3.7 25.3 1.0
C A:THR26 3.9 22.2 1.0
CB A:LYS48 3.9 25.4 1.0
CG2 A:THR27 4.0 22.4 1.0
CB A:THR27 4.1 21.7 1.0
O A:HOH447 4.2 36.1 1.0
CA A:THR27 4.2 21.6 1.0
CG2 A:THR26 4.3 27.4 1.0
CD A:LYS48 4.4 26.7 1.0
CG A:LYS48 4.6 25.7 1.0
N A:LYS48 4.8 24.9 1.0
CA A:LYS48 4.8 25.0 1.0
O A:LEU25 4.8 29.0 1.0
OG1 A:THR26 4.9 27.8 1.0
N A:ARG28 4.9 23.9 1.0
N A:THR26 4.9 24.7 1.0
O A:HOH512 5.0 41.7 1.0

Chlorine binding site 5 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 5 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:57.0
occ:1.00
 O A:HOH495 3.8 25.3 1.0
NH2 A:ARG92 4.0 38.0 1.0
O A:HOH508 4.3 31.6 1.0
NH1 A:ARG92 4.3 37.6 1.0
CZ A:ARG92 4.6 36.5 1.0
OH A:TYR93 4.7 30.3 1.0
O A:HOH423 4.8 26.8 1.0

Chlorine binding site 6 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 6 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:27.7
occ:1.00
 OG B:SER74 3.1 19.6 1.0
N B:SER74 3.3 22.1 1.0
CB B:SER74 3.6 20.7 1.0
CB B:SER77 3.6 19.4 1.0
OG B:SER77 4.0 20.1 1.0
CA B:GLU73 4.0 23.6 1.0
CA B:SER74 4.1 20.4 1.0
CG B:GLU73 4.1 21.9 1.0
C B:GLU73 4.1 22.9 1.0
O B:HOH499 4.5 47.7 1.0
CB B:GLU73 4.7 23.0 1.0
O B:GLY72 4.8 26.2 1.0
O B:SER74 4.9 18.6 1.0
CA B:SER77 5.0 18.3 1.0

Chlorine binding site 7 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 7 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:23.8
occ:1.00
 N B:LEU4 3.1 23.6 1.0
NH1 B:ARG3 3.3 34.1 1.0
CA B:ARG3 3.9 25.5 1.0
CB B:LEU4 3.9 21.3 1.0
CA B:LEU4 3.9 22.0 1.0
C B:ARG3 4.0 24.1 1.0
CD B:ARG3 4.2 33.1 1.0
CG B:ARG3 4.3 32.1 1.0
CG B:LEU4 4.3 20.8 1.0
C B:LEU4 4.3 23.0 1.0
N B:ASN5 4.4 23.3 1.0
O B:HOH427 4.4 47.2 1.0
CZ B:ARG3 4.5 34.4 1.0
O B:SER2 4.5 24.1 1.0
CB B:ARG3 4.7 28.8 1.0
NE B:ARG3 4.9 35.1 1.0
CD1 B:LEU4 4.9 20.4 1.0

Chlorine binding site 8 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 8 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:35.4
occ:1.00
 O B:HOH541 3.1 56.1 1.0
ND2 B:ASN5 3.2 28.8 1.0
N B:GLU7 3.3 23.6 1.0
CB B:ASN5 3.7 25.5 1.0
CB B:GLU7 3.7 28.9 1.0
N B:ARG6 3.7 23.2 1.0
CG B:ASN5 3.9 28.0 1.0
CB B:ARG6 4.0 27.0 1.0
CA B:GLU7 4.1 24.9 1.0
CA B:ARG6 4.2 24.6 1.0
C B:ARG6 4.2 22.8 1.0
C B:ASN5 4.2 23.0 1.0
O B:HOH501 4.3 29.0 1.0
CA B:ASN5 4.5 23.8 1.0
OE1 B:GLU7 4.9 41.6 1.0
O B:ASN5 5.0 20.9 1.0

Chlorine binding site 9 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 9 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:41.0
occ:1.00
 O B:HOH514 3.1 24.9 1.0
N B:THR27 3.2 23.7 1.0
O B:HOH512 3.4 32.9 1.0
OG1 B:THR27 3.5 23.6 1.0
CA B:THR26 3.6 24.4 1.0
O B:HOH437 3.7 47.0 1.0
CB B:THR26 3.7 24.7 1.0
C B:THR26 3.9 23.8 1.0
CG2 B:THR27 4.0 25.3 1.0
CB B:LYS48 4.0 24.7 1.0
CB B:THR27 4.1 24.4 1.0
CA B:THR27 4.3 23.5 1.0
CD B:LYS48 4.3 25.4 1.0
CG2 B:THR26 4.4 25.2 1.0
CG B:LYS48 4.7 24.8 1.0
O B:LEU25 4.8 29.4 1.0
OG1 B:THR26 4.9 25.1 1.0
N B:ARG28 4.9 25.1 1.0
N B:LYS48 4.9 24.9 1.0
CA B:LYS48 4.9 24.6 1.0
N B:THR26 4.9 24.6 1.0

Chlorine binding site 10 out of 10 in 6rgx

Go back to Chlorine Binding Sites List in 6rgx
Chlorine binding site 10 out of 10 in the Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl307

b:30.9
occ:0.50
 O B:HOH449 3.1 30.9 1.0
O B:HOH482 3.2 24.7 1.0
CD1 A:LEU169 3.8 21.7 1.0
CG B:ARG118 3.9 28.2 1.0
NE B:ARG118 4.0 35.0 1.0
CG A:LEU169 4.1 21.1 1.0
CD B:ARG118 4.1 32.7 1.0
CD2 A:LEU169 4.2 21.2 1.0
CB B:ARG118 4.6 25.3 1.0

Reference:

W.Hinrichs, G.J.Palm, L.Berndt, B.Girbardt. Tetr(D) N82A Mutant in Complex with Doxycycline and Magnesium To Be Published.
Page generated: Sat Jul 12 19:21:22 2025

Last articles

Mg in 1SQK
Mg in 1SMY
Mg in 1SO2
Mg in 1SO5
Mg in 1SO4
Mg in 1SO3
Mg in 1SNF
Mg in 1SLH
Mg in 1SL2
Mg in 1SL5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy