Chlorine in PDB 7trv: Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis

Protein crystallography data

The structure of Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis, PDB code: 7trv was solved by Y.Kim, C.Tesar, M.Crawford, G.Chhor, M.Endres, G.Babnigg, O.Schneewind, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.84 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 30.943, 146.27, 33.701, 90, 90.21, 90
R / Rfree (%) 18.7 / 23.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis (pdb code 7trv). 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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis, PDB code: 7trv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7trv

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Chlorine binding site 1 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl102

b:29.1
occ:1.00
 O A:HOH230 2.8 30.3 1.0
O A:HOH237 2.8 31.3 1.0
OG A:SER20 3.1 37.3 1.0
O A:HOH241 3.2 23.9 1.0
CB A:SER20 3.3 34.6 1.0
N A:SER20 3.5 32.1 1.0
O A:GLY17 3.6 31.2 1.0
N A:PHE19 3.9 30.9 1.0
CA A:GLY18 3.9 30.1 1.0
CA A:SER20 4.1 33.0 1.0
C A:GLY18 4.1 30.0 1.0
C A:GLY17 4.4 30.6 1.0
C A:PHE19 4.6 32.2 1.0
N A:GLY18 4.6 30.0 1.0
CA A:PHE19 4.8 31.8 1.0
O A:GLY18 4.9 29.5 1.0
N A:ALA21 4.9 31.0 1.0

Chlorine binding site 2 out of 8 in 7trv

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Chlorine binding site 2 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl103

b:33.1
occ:1.00
 NH1 B:ARG77 3.8 36.4 1.0
CB A:ALA0 3.9 29.4 1.0
N A:ALA0 4.0 32.0 1.0
CG A:MSE1 4.1 32.1 1.0
CG B:ARG77 4.1 28.6 1.0
OD1 A:ASN-1 4.2 38.3 1.0
CA A:ALA0 4.4 30.5 1.0
CE A:MSE1 4.6 29.2 1.0
N A:MSE1 4.6 35.1 1.0
CD B:ARG77 4.7 33.2 1.0
CZ B:ARG77 4.8 34.6 1.0
C A:ALA0 4.8 33.6 1.0
C A:ASN-1 5.0 33.4 1.0
CB A:MSE1 5.0 30.4 1.0

Chlorine binding site 3 out of 8 in 7trv

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Chlorine binding site 3 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:36.0
occ:1.00
 CG B:ARG35 3.7 33.9 1.0
CD B:ARG36 3.8 30.7 1.0
NZ B:LYS32 3.9 36.9 1.0
NH1 B:ARG36 4.0 28.6 1.0
CD B:LYS32 4.2 39.8 1.0
CB B:ARG35 4.3 30.3 1.0
CE B:LYS32 4.5 40.2 1.0
NH1 B:ARG35 4.6 44.2 1.0
NE B:ARG36 4.8 30.3 1.0
CG B:ARG36 4.8 31.2 1.0
CZ B:ARG36 4.9 29.2 1.0
CD B:ARG35 4.9 35.9 1.0
CG B:LYS32 4.9 36.5 1.0

Chlorine binding site 4 out of 8 in 7trv

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Chlorine binding site 4 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:34.2
occ:1.00
 O A:HOH234 3.2 30.2 1.0
ND1 B:HIS2 3.2 36.0 1.0
CE B:MSE1 3.4 39.2 1.0
NH1 B:ARG43 3.7 32.4 1.0
N B:HIS2 3.8 33.4 1.0
OE1 A:GLN80 3.9 38.0 1.0
CA B:MSE1 3.9 38.0 1.0
CE1 B:HIS2 3.9 33.9 1.0
CB B:MSE1 4.0 37.1 1.0
O A:HOH214 4.0 26.7 1.0
CG B:MSE1 4.2 38.6 1.0
CZ B:ARG43 4.2 32.5 1.0
NH2 B:ARG43 4.2 30.1 1.0
CG A:GLN80 4.3 37.4 1.0
CG B:HIS2 4.3 35.8 1.0
CD A:GLN80 4.4 38.7 1.0
CB A:GLN80 4.4 34.5 1.0
C B:MSE1 4.4 36.8 1.0
SE B:MSE1 4.4 47.9 1.0
CB B:HIS2 4.6 33.2 1.0
O B:ALA0 4.8 43.4 1.0
CA B:HIS2 4.8 33.1 1.0

Chlorine binding site 5 out of 8 in 7trv

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Chlorine binding site 5 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:40.5
occ:1.00
 O C:HOH254 2.7 30.0 1.0
OG C:SER20 2.7 49.0 1.0
CB C:SER20 3.3 45.2 1.0
N C:SER20 3.5 38.0 1.0
O C:HOH238 3.5 31.9 1.0
N C:PHE19 4.0 29.7 1.0
CA C:SER20 4.0 39.8 1.0
O C:HOH233 4.1 35.3 1.0
CD A:ARG35 4.1 32.3 1.0
CA C:GLY18 4.2 29.8 1.0
CG A:ARG35 4.3 30.8 1.0
O C:GLY17 4.3 32.3 1.0
C C:GLY18 4.3 30.2 1.0
C C:PHE19 4.5 35.2 1.0
CA C:PHE19 4.8 32.6 1.0
O C:HOH207 4.9 31.0 1.0

Chlorine binding site 6 out of 8 in 7trv

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Chlorine binding site 6 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl102

b:32.6
occ:1.00
 NH1 D:ARG77 2.9 41.9 1.0
CG D:ARG77 3.6 28.0 1.0
CG C:MSE1 3.9 35.0 1.0
CD D:ARG77 3.9 32.2 1.0
CZ D:ARG77 4.0 37.7 1.0
CB C:ALA0 4.3 35.4 1.0
CE C:MSE1 4.3 32.8 1.0
NE D:ARG77 4.4 33.1 1.0
SE C:MSE1 4.6 46.3 1.0
O2 D:SO4107 4.8 43.5 1.0
O3 D:SO4107 4.9 46.6 1.0
CB D:ARG77 5.0 26.5 1.0

Chlorine binding site 7 out of 8 in 7trv

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Chlorine binding site 7 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl103

b:31.0
occ:1.00
 O D:HOH239 3.2 29.4 1.0
NH1 D:ARG36 3.3 31.7 1.0
CD D:ARG36 3.5 35.2 1.0
NZ D:LYS32 3.9 41.3 1.0
CG D:ARG35 4.0 39.2 1.0
CD D:LYS32 4.1 40.0 1.0
CE D:LYS32 4.1 41.3 1.0
CZ D:ARG36 4.2 31.1 1.0
NE D:ARG36 4.4 31.4 1.0
CD D:ARG35 4.5 45.8 1.0
CB D:ARG35 4.6 34.8 1.0
CD1 D:LEU39 4.6 30.9 1.0
CG D:ARG36 4.7 33.4 1.0
NE D:ARG35 4.7 47.2 1.0
O D:HOH242 4.8 31.4 1.0

Chlorine binding site 8 out of 8 in 7trv

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Chlorine binding site 8 out of 8 in the Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis


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 the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl104

b:42.3
occ:1.00
 N D:HIS2 2.9 33.4 1.0
O C:HOH212 2.9 27.9 1.0
NH2 D:ARG43 3.2 32.1 1.0
CB D:MSE1 3.3 41.2 1.0
CA D:MSE1 3.6 38.9 1.0
C D:MSE1 3.7 34.3 1.0
O D:HOH201 3.8 28.0 1.0
CA D:HIS2 3.9 31.9 1.0
CZ D:ARG43 3.9 32.2 1.0
O D:HIS2 3.9 31.5 1.0
CD2 D:HIS2 4.0 33.2 1.0
CB D:HIS2 4.1 32.2 1.0
C D:HIS2 4.1 28.8 1.0
NH1 D:ARG43 4.2 31.9 1.0
CD2 D:LEU4 4.2 29.5 1.0
OE1 C:GLN80 4.3 32.1 1.0
CE D:MSE1 4.4 34.5 1.0
CG D:HIS2 4.4 31.9 1.0
CG D:MSE1 4.5 39.1 1.0
O D:HOH221 4.7 29.2 1.0
NE D:ARG43 4.7 30.2 1.0
CD1 D:LEU7 4.8 25.8 1.0
O D:MSE1 4.8 36.6 1.0

Reference:

Y.Kim, C.Tesar, M.Crawford, G.Chhor, M.Endres, G.Babnigg, O.Schneewind, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Dna-Binding Domain of the Lysr Family Transcriptional Regulator Yfba From Yersinia Pestis To Be Published.
Page generated: Tue Jul 30 04:47:03 2024

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