Atomistry » Chlorine » PDB 5fjh-5fql » 5fkk
Atomistry »
  Chlorine »
    PDB 5fjh-5fql »
      5fkk »

Chlorine in PDB 5fkk: Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium

Protein crystallography data

The structure of Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium, PDB code: 5fkk was solved by S.Werten, J.Schneider, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.25 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.231, 68.231, 179.247, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 25.4

Other elements in 5fkk:

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

Chlorine binding site 1 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 1 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:39.6
occ:1.00
N A:SER74 3.1 32.5 1.0
OG A:SER74 3.1 30.2 1.0
CB A:SER74 3.5 32.1 1.0
CB A:SER77 3.6 30.5 1.0
CA A:SER74 3.9 31.4 1.0
CA A:GLU73 4.0 34.2 1.0
C A:GLU73 4.0 33.7 1.0
CG A:GLU73 4.0 33.2 1.0
OG A:SER77 4.1 31.7 1.0
CB A:GLU73 4.6 34.3 1.0
O A:GLY72 4.7 37.6 1.0
O A:SER74 4.8 30.6 1.0
C A:SER74 4.9 30.9 1.0

Chlorine binding site 2 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 2 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:37.5
occ:1.00
N A:LEU4 3.1 34.1 1.0
NH1 A:ARG3 3.5 52.7 1.0
CD A:ARG3 3.8 49.4 1.0
CB A:LEU4 3.9 30.2 1.0
CA A:LEU4 3.9 32.2 1.0
CA A:ARG3 4.0 39.9 1.0
C A:ARG3 4.0 35.3 1.0
C A:LEU4 4.2 34.7 1.0
CG A:LEU4 4.3 29.3 1.0
N A:ASN5 4.4 35.7 1.0
O A:SER2 4.4 41.7 1.0
CZ A:ARG3 4.5 52.8 1.0
NE A:ARG3 4.6 50.8 1.0
CB A:ARG3 4.7 43.9 1.0
CG A:ARG3 4.8 47.8 1.0
O A:LEU4 4.9 37.4 1.0
CD1 A:LEU4 4.9 29.5 1.0

Chlorine binding site 3 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 3 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:51.4
occ:1.00
N A:GLU7 3.1 34.0 1.0
ND2 A:ASN5 3.2 44.8 1.0
CB A:GLU7 3.6 39.8 1.0
N A:ARG6 3.7 34.6 1.0
CB A:ASN5 3.8 38.5 1.0
CB A:ARG6 3.9 37.2 1.0
CA A:GLU7 3.9 36.0 1.0
CG A:ASN5 4.0 41.0 1.0
C A:ARG6 4.1 33.6 1.0
CA A:ARG6 4.1 34.6 1.0
C A:ASN5 4.3 34.7 1.0
CA A:ASN5 4.6 35.8 1.0
OE1 A:GLU7 4.7 50.2 1.0
CG A:GLU7 4.9 42.6 1.0
O A:ASN5 5.0 33.2 1.0

Chlorine binding site 4 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 4 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:43.8
occ:1.00
N A:THR27 3.0 31.6 1.0
O A:HOH2015 3.0 37.3 1.0
O A:HOH2029 3.3 41.3 1.0
OG1 A:THR27 3.4 32.6 1.0
CA A:THR26 3.5 33.5 1.0
CB A:THR26 3.6 35.0 1.0
C A:THR26 3.7 32.0 1.0
CB A:LYS48 4.0 32.2 1.0
CG2 A:THR27 4.0 31.2 1.0
CB A:THR27 4.0 31.1 1.0
CA A:THR27 4.1 31.2 1.0
CG2 A:THR26 4.1 37.6 1.0
O A:HOH2017 4.2 48.3 1.0
CD A:LYS48 4.5 33.1 1.0
O A:LEU25 4.7 36.0 1.0
CG A:LYS48 4.7 32.5 1.0
N A:ARG28 4.7 34.0 1.0
N A:THR26 4.8 33.9 1.0
O A:HOH2006 4.8 50.4 1.0
N A:LYS48 4.8 31.3 1.0
OG1 A:THR26 4.8 36.5 1.0
CA A:LYS48 4.8 31.5 1.0
C A:THR27 5.0 31.5 1.0
O A:THR26 5.0 31.9 1.0

Chlorine binding site 5 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 5 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:34.9
occ:1.00
OG B:SER74 3.1 25.9 1.0
N B:SER74 3.2 28.7 1.0
CB B:SER77 3.6 25.8 1.0
CB B:SER74 3.6 27.1 1.0
OG B:SER77 4.0 26.9 1.0
CA B:SER74 4.0 27.4 1.0
CA B:GLU73 4.1 30.4 1.0
C B:GLU73 4.1 29.0 1.0
CG B:GLU73 4.2 28.7 1.0
CB B:GLU73 4.8 30.0 1.0
O B:GLY72 4.8 34.7 1.0
O B:SER74 4.9 26.6 1.0
C B:SER74 5.0 26.5 1.0
CA B:SER77 5.0 24.8 1.0

Chlorine binding site 6 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 6 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:31.7
occ:1.00
N B:LEU4 3.1 31.6 1.0
NH1 B:ARG3 3.3 42.7 1.0
CB B:LEU4 3.9 29.9 1.0
CA B:LEU4 3.9 30.8 1.0
CA B:ARG3 3.9 34.5 1.0
C B:ARG3 4.0 32.8 1.0
CD B:ARG3 4.1 41.2 1.0
CG B:LEU4 4.3 30.5 1.0
C B:LEU4 4.3 31.8 1.0
CG B:ARG3 4.3 40.5 1.0
N B:ASN5 4.4 31.2 1.0
CZ B:ARG3 4.5 43.4 1.0
O B:SER2 4.5 35.5 1.0
CB B:ARG3 4.7 38.4 1.0
NE B:ARG3 4.8 43.2 1.0
CD1 B:LEU4 5.0 31.8 1.0
N B:ARG3 5.0 33.8 1.0
O B:LEU4 5.0 32.7 1.0

Chlorine binding site 7 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 7 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:45.2
occ:1.00
ND2 B:ASN5 3.2 39.3 1.0
N B:GLU7 3.2 30.4 1.0
N B:ARG6 3.6 31.0 1.0
CB B:ASN5 3.7 34.4 1.0
CB B:GLU7 3.8 35.9 1.0
CB B:ARG6 3.9 35.0 1.0
CG B:ASN5 3.9 37.2 1.0
CA B:ARG6 4.0 32.1 1.0
CA B:GLU7 4.1 32.0 1.0
C B:ARG6 4.1 31.3 1.0
O B:HOH2005 4.1 41.2 1.0
C B:ASN5 4.2 31.8 1.0
CA B:ASN5 4.5 32.7 1.0
O B:HOH2004 4.6 49.0 1.0
O B:ASN5 4.9 31.9 1.0
CG B:ARG6 5.0 37.8 1.0

Chlorine binding site 8 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 8 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:54.0
occ:1.00
O B:HOH2024 3.1 34.6 1.0
O B:HOH2036 3.3 44.2 1.0
N B:THR27 3.3 33.4 1.0
OG1 B:THR27 3.4 34.0 1.0
CA B:THR26 3.7 33.5 1.0
CB B:THR26 3.8 35.2 1.0
CG2 B:THR27 4.0 33.5 1.0
C B:THR26 4.0 33.4 1.0
CB B:LYS48 4.1 33.2 1.0
CB B:THR27 4.1 33.0 1.0
CA B:THR27 4.3 33.1 1.0
CG2 B:THR26 4.4 36.0 1.0
CD B:LYS48 4.4 33.7 1.0
O B:HOH2025 4.7 59.9 1.0
O B:LEU25 4.8 39.3 1.0
CG B:LYS48 4.8 32.9 1.0
N B:LYS48 4.9 34.2 1.0
N B:ARG28 4.9 36.8 1.0
N B:THR26 5.0 34.1 1.0
CA B:LYS48 5.0 32.2 1.0

Chlorine binding site 9 out of 9 in 5fkk

Go back to Chlorine Binding Sites List in 5fkk
Chlorine binding site 9 out of 9 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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 Anhydrotetracycline and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:39.1
occ:0.50
O B:HOH2087 3.2 37.1 1.0
O B:HOH2090 3.3 30.0 1.0
CD1 A:LEU169 3.8 27.3 1.0
NE B:ARG118 3.9 41.2 1.0
CG B:ARG118 3.9 33.8 1.0
CG A:LEU169 4.0 26.6 1.0
CD B:ARG118 4.1 37.9 1.0
CD2 A:LEU169 4.2 26.5 1.0
CB B:ARG118 4.6 29.7 1.0

Reference:

S.Werten, J.Schneider, G.J.Palm, W.Hinrichs. Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor Febs J. V. 283 2102 2016.
ISSN: ISSN 1742-464X
PubMed: 27028290
DOI: 10.1111/FEBS.13723
Page generated: Sat Dec 12 11:44:56 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy