Chlorine in PDB 7l6l: Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12

Protein crystallography data

The structure of Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12, PDB code: 7l6l was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, G.Wiersum, K.J.F.Satchell, 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) 29.70 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.751, 64.734, 140.71, 90, 97.94, 90
R / Rfree (%) 15.8 / 18.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12 (pdb code 7l6l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12, PDB code: 7l6l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7l6l

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Chlorine binding site 1 out of 5 in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12


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 Transcriptional Repressor Deor From Escherichia Coli Str. K-12 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:33.5
occ:0.50
 O B:HOH570 2.2 23.8 0.5
O B:HOH425 2.7 27.9 1.0
O B:HOH457 3.0 28.9 1.0
N B:PHE185 3.2 19.4 1.0
O B:HOH561 3.2 41.8 1.0
CB B:CYS184 3.3 19.6 1.0
O B:HOH537 3.4 31.2 1.0
CB B:ALA174 3.5 18.0 1.0
O B:HOH635 3.5 40.8 1.0
CA B:CYS184 3.6 18.7 1.0
CD2 B:PHE185 3.7 22.1 1.0
O B:HOH554 3.8 34.7 1.0
C B:CYS184 3.9 19.0 1.0
N B:ALA174 4.0 16.0 1.0
CB B:PHE185 4.2 21.9 1.0
CA B:ALA174 4.2 16.9 1.0
CA B:PHE185 4.3 21.2 1.0
CG B:PHE185 4.3 22.1 1.0
OE1 B:GLU189 4.4 25.9 1.0
O3 B:SO4303 4.4 36.6 1.0
C B:ALA173 4.6 16.0 1.0
CE2 B:PHE185 4.6 22.2 1.0
ND2 B:ASN149 4.8 36.4 1.0
SG B:CYS184 4.9 22.0 1.0
N B:ASN186 4.9 21.6 1.0
N B:CYS184 5.0 17.9 1.0

Chlorine binding site 2 out of 5 in 7l6l

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Chlorine binding site 2 out of 5 in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12


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 Transcriptional Repressor Deor From Escherichia Coli Str. K-12 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:36.5
occ:1.00
 O E:HOH515 2.8 31.4 1.0
OG1 E:THR160 2.9 25.8 1.0
O C:HOH532 3.0 33.7 1.0
N E:GLY142 3.1 25.5 1.0
N C:GLY142 3.3 26.4 1.0
CA C:GLY142 3.4 26.5 1.0
NE2 E:GLN159 3.6 27.5 1.0
CA E:GLY142 3.7 25.8 1.0
CG E:GLN159 3.7 26.3 1.0
CD E:GLN159 3.7 27.0 1.0
CB E:THR160 3.8 23.3 1.0
C C:GLY142 3.8 26.3 1.0
C E:CYS141 4.1 27.5 1.0
O C:GLY142 4.1 27.1 1.0
CB E:GLN159 4.1 24.4 1.0
O E:HOH493 4.2 19.4 1.0
C E:GLY142 4.3 25.3 1.0
CA E:CYS141 4.3 25.4 1.0
N E:THR160 4.4 22.6 1.0
O E:GLY142 4.4 24.7 1.0
O E:LEU140 4.4 30.9 1.0
OE1 E:GLN159 4.5 28.2 1.0
N C:GLY143 4.5 23.6 1.0
O E:HOH504 4.5 22.3 1.0
C C:CYS141 4.6 25.4 1.0
CA E:THR160 4.7 22.4 1.0
O E:HOH507 4.7 37.9 1.0
C E:GLN159 4.8 22.2 1.0
CG2 E:THR160 4.8 23.7 1.0
SG E:CYS141 4.9 30.5 1.0
O C:LEU140 5.0 27.5 1.0

Chlorine binding site 3 out of 5 in 7l6l

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Chlorine binding site 3 out of 5 in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12


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 Transcriptional Repressor Deor From Escherichia Coli Str. K-12 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:38.3
occ:0.50
 CL D:CL301 0.0 38.3 0.5
CL D:CL301 2.3 39.5 0.5
O F:HOH493 2.8 30.1 1.0
NZ F:LYS153 2.8 29.1 1.0
O F:HOH426 2.8 31.6 1.0
CE F:LYS153 3.6 27.4 1.0
CD F:LYS153 3.7 25.8 1.0
CE1 F:HIS146 4.1 23.3 1.0
NE2 F:HIS146 4.1 22.4 1.0
O D:HOH432 4.1 28.9 1.0
O D:HOH480 4.2 34.1 1.0
NZ D:LYS153 4.3 23.9 0.4
CG F:GLU188 4.3 23.9 1.0
O F:HOH444 4.4 26.6 1.0
O F:HOH566 4.6 42.4 1.0
O D:HOH458 4.6 29.9 1.0
O F:HOH434 4.6 34.9 1.0
O F:HOH472 4.8 40.0 1.0
OE1 F:GLU144 4.8 23.3 1.0
OE2 F:GLU188 4.8 26.4 1.0
O F:HOH503 4.9 28.5 1.0

Chlorine binding site 4 out of 5 in 7l6l

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Chlorine binding site 4 out of 5 in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12


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 Transcriptional Repressor Deor From Escherichia Coli Str. K-12 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:39.5
occ:0.50
 CL D:CL301 0.0 39.5 0.5
CL D:CL301 2.3 38.3 0.5
NZ D:LYS153 2.8 23.9 0.4
O D:HOH432 2.9 28.9 1.0
O D:HOH480 2.9 34.1 1.0
CD D:LYS153 3.6 24.0 0.4
CD D:LYS153 3.7 29.3 0.6
CE D:LYS153 3.7 24.0 0.4
CE D:LYS153 3.8 30.6 0.6
NZ F:LYS153 3.9 29.1 1.0
O F:HOH426 3.9 31.6 1.0
O D:HOH495 4.1 38.6 1.0
CE1 D:HIS146 4.1 26.9 1.0
NE2 D:HIS146 4.2 26.4 1.0
O F:HOH434 4.2 34.9 1.0
NZ D:LYS153 4.3 31.3 0.6
O F:HOH493 4.3 30.1 1.0
CG D:GLU188 4.4 25.8 1.0
O D:HOH587 4.6 37.2 1.0
CE F:LYS153 4.6 27.4 1.0
O D:HOH493 4.7 30.3 1.0
O F:HOH444 4.7 26.6 1.0
O D:HOH458 4.7 29.9 1.0
O D:HOH478 4.8 45.8 1.0
OE2 D:GLU188 4.9 26.7 1.0
OE1 D:GLU144 4.9 26.9 1.0
CG D:LYS153 5.0 27.7 0.6

Chlorine binding site 5 out of 5 in 7l6l

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Chlorine binding site 5 out of 5 in the Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12


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 Transcriptional Repressor Deor From Escherichia Coli Str. K-12 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:80.6
occ:1.00
 NH2 E:ARG225 3.6 45.5 1.0
NH1 E:ARG225 3.6 45.1 1.0
CZ E:ARG225 4.1 44.5 1.0
NZ E:LYS224 4.3 46.8 1.0
CE E:LYS224 4.8 42.3 1.0

Reference:

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, G.Wiersum, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Dna-Binding Transcriptional Repressor Deor From Escherichia Coli Str. K-12. To Be Published.
Page generated: Mon Jul 29 23:53:10 2024

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