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Chlorine in PDB 3lwf: Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution

Protein crystallography data

The structure of Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution, PDB code: 3lwf was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.83 / 2.06
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.961, 115.782, 75.927, 90.00, 120.70, 90.00
R / Rfree (%) 18 / 21.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution (pdb code 3lwf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution, PDB code: 3lwf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3lwf

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Chlorine binding site 1 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl149

b:63.0
occ:1.00
 N A:THR5 3.4 23.6 1.0
CB A:THR4 3.5 24.5 1.0
OG1 A:THR5 3.5 23.6 1.0
CG2 A:THR5 3.8 21.0 1.0
O A:HOH558 3.8 39.5 1.0
CA A:THR4 4.0 23.9 1.0
CB A:THR5 4.1 22.6 1.0
C A:THR4 4.2 24.8 1.0
CG2 A:THR4 4.3 20.8 1.0
CA A:THR5 4.4 22.0 1.0
OG1 A:THR4 4.4 22.0 1.0

Chlorine binding site 2 out of 7 in 3lwf

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Chlorine binding site 2 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl154

b:58.2
occ:1.00
 O B:HOH618 2.6 33.0 1.0
NE B:ARG50 2.8 33.2 0.5
OG B:SER57 3.3 27.6 1.0
O B:HOH615 3.4 29.6 1.0
N B:SER57 3.4 21.6 1.0
NH2 B:ARG50 3.4 43.9 0.5
CZ B:ARG50 3.5 37.9 0.5
CG B:ARG50 3.6 24.4 0.5
CG B:ARG50 3.7 26.1 0.5
CA B:LYS56 3.7 21.4 1.0
CD B:ARG50 3.7 23.9 0.5
CD B:ARG50 3.9 25.1 0.5
O2 B:SO4150 4.0 40.4 1.0
C B:LYS56 4.1 21.1 1.0
CB B:LYS56 4.1 22.1 1.0
CG B:LYS56 4.2 27.5 1.0
CB B:SER57 4.3 21.6 1.0
CA B:SER57 4.3 20.7 1.0
O B:SER57 4.4 23.1 1.0
O B:VAL55 4.5 20.4 1.0
NH1 B:ARG50 4.7 36.7 0.5
C B:SER57 4.8 22.3 1.0
N B:LYS56 4.9 20.9 1.0
O1 B:SO4150 5.0 40.2 1.0

Chlorine binding site 3 out of 7 in 3lwf

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Chlorine binding site 3 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl155

b:72.4
occ:1.00
 O B:HOH660 3.5 49.7 1.0
N B:ALA98 3.6 23.2 1.0
CA B:GLU97 3.8 31.6 1.0
CB B:GLU97 4.1 33.8 1.0
NH1 B:ARG101 4.2 23.7 0.5
C B:GLU97 4.2 27.2 1.0
CB B:ALA98 4.3 18.4 1.0
CG B:GLU97 4.4 40.0 1.0
CA B:ALA98 4.5 22.3 1.0
NH1 B:ARG101 4.6 37.7 0.5
O B:GLU96 4.8 39.3 1.0

Chlorine binding site 4 out of 7 in 3lwf

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Chlorine binding site 4 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl160

b:61.4
occ:1.00
 N C:THR5 3.4 19.9 1.0
CG2 C:THR5 3.4 22.5 1.0
OG1 C:THR5 3.6 23.7 1.0
CB C:THR4 3.7 22.5 1.0
CB C:THR5 3.9 20.9 1.0
CA C:THR4 4.0 22.2 1.0
C C:THR4 4.2 21.9 1.0
CA C:THR5 4.3 20.9 1.0
CG2 C:THR4 4.5 24.2 1.0
OG1 C:THR4 4.6 22.6 1.0

Chlorine binding site 5 out of 7 in 3lwf

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Chlorine binding site 5 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl161

b:50.9
occ:1.00
 NZ C:LYS56 3.0 28.4 1.0
CD C:LYS56 3.5 29.9 1.0
CE C:LYS56 3.9 29.2 1.0
CG C:LYS56 4.9 28.6 1.0

Chlorine binding site 6 out of 7 in 3lwf

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Chlorine binding site 6 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl162

b:70.0
occ:1.00
 NH2 C:ARG101 3.5 50.4 1.0
N C:ALA98 3.6 26.9 1.0
CA C:GLU97 3.9 32.2 1.0
CB C:GLU97 4.1 33.2 1.0
C C:GLU97 4.2 28.7 1.0
NH1 C:ARG101 4.2 60.2 1.0
CB C:ALA98 4.2 20.2 1.0
CZ C:ARG101 4.3 57.5 1.0
CA C:ALA98 4.4 23.8 1.0
CG C:GLU97 4.4 40.9 1.0
O C:GLU96 4.8 37.3 1.0
OE1 C:GLU97 4.9 55.4 1.0

Chlorine binding site 7 out of 7 in 3lwf

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Chlorine binding site 7 out of 7 in the Crystal Structure of Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution


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 Putative Transcriptional Regulator (NP_470886.1) From Listeria Innocua at 2.06 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl166

b:59.3
occ:1.00
 OG D:SER130 3.4 34.6 1.0
NH2 B:ARG101 3.7 27.5 0.5
N D:SER130 3.8 35.6 1.0
CB D:SER130 3.8 35.9 1.0
OD1 D:ASP129 4.4 55.7 1.0
CA D:SER130 4.4 36.6 1.0
O B:HOH623 4.6 34.1 1.0
CZ B:ARG101 4.6 31.8 0.5
NE B:ARG101 4.7 33.0 0.5
C D:ASP129 4.8 35.1 1.0
CA D:ASP129 4.8 37.5 1.0
O D:THR128 4.9 31.7 1.0
O D:HOH772 5.0 48.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 23:42:32 2024

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