Chlorine in PDB 3nrg: Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution, PDB code: 3nrg
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)
|
48.54 /
2.56
|
Space group
|
I 41
|
Cell size a, b, c (Å), α, β, γ (°)
|
204.933,
204.933,
57.218,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.7 /
24.3
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution
(pdb code 3nrg). 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution, PDB code: 3nrg:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 3nrg
Go back to
Chlorine Binding Sites List in 3nrg
Chlorine binding site 1 out
of 5 in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl218
b:32.2
occ:1.00
|
N
|
A:LEU107
|
3.2
|
28.8
|
1.0
|
N
|
A:ARG106
|
3.3
|
28.4
|
1.0
|
C
|
A:ASN104
|
3.5
|
29.0
|
1.0
|
CA
|
A:ASN104
|
3.5
|
27.2
|
1.0
|
CB
|
A:ARG106
|
3.6
|
27.1
|
1.0
|
CA
|
A:ARG106
|
3.8
|
27.9
|
1.0
|
N
|
A:PRO105
|
3.8
|
24.4
|
1.0
|
CG
|
A:LEU107
|
3.8
|
34.0
|
1.0
|
CB
|
A:ASN104
|
3.8
|
26.7
|
1.0
|
O
|
A:ASN104
|
3.9
|
28.4
|
1.0
|
CB
|
A:LEU107
|
3.9
|
29.2
|
1.0
|
C
|
A:ARG106
|
3.9
|
31.6
|
1.0
|
NE
|
A:ARG106
|
4.0
|
40.0
|
1.0
|
CA
|
A:LEU107
|
4.1
|
28.9
|
1.0
|
CD1
|
A:LEU107
|
4.2
|
34.0
|
1.0
|
ND2
|
A:ASN104
|
4.2
|
53.3
|
1.0
|
CD1
|
A:LEU22
|
4.2
|
33.7
|
1.0
|
CD
|
A:PRO105
|
4.3
|
25.7
|
1.0
|
C
|
A:PRO105
|
4.3
|
31.1
|
1.0
|
CG
|
A:ARG106
|
4.4
|
31.1
|
1.0
|
CG
|
A:ASN104
|
4.6
|
59.5
|
1.0
|
NH2
|
A:ARG106
|
4.6
|
44.7
|
1.0
|
CA
|
A:PRO105
|
4.7
|
24.3
|
1.0
|
CZ
|
A:ARG106
|
4.8
|
57.5
|
1.0
|
CD
|
A:ARG106
|
4.8
|
38.7
|
1.0
|
CD2
|
A:LEU22
|
4.9
|
34.9
|
1.0
|
N
|
A:ASN104
|
4.9
|
28.4
|
1.0
|
CG
|
A:PRO105
|
5.0
|
30.7
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 3nrg
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Chlorine Binding Sites List in 3nrg
Chlorine binding site 2 out
of 5 in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl220
b:51.8
occ:1.00
|
N
|
B:LEU107
|
3.2
|
35.6
|
1.0
|
N
|
B:ARG106
|
3.3
|
35.9
|
1.0
|
C
|
B:ASN104
|
3.5
|
36.8
|
1.0
|
CA
|
B:ASN104
|
3.6
|
35.1
|
1.0
|
CB
|
B:ARG106
|
3.6
|
36.1
|
1.0
|
CA
|
B:ARG106
|
3.7
|
35.4
|
1.0
|
N
|
B:PRO105
|
3.8
|
33.2
|
1.0
|
CG
|
B:LEU107
|
3.9
|
41.3
|
1.0
|
O
|
B:ASN104
|
3.9
|
35.2
|
1.0
|
CB
|
B:ASN104
|
3.9
|
34.7
|
1.0
|
C
|
B:ARG106
|
3.9
|
38.5
|
1.0
|
NE
|
B:ARG106
|
3.9
|
48.3
|
1.0
|
CB
|
B:LEU107
|
3.9
|
36.2
|
1.0
|
CD1
|
B:LEU22
|
4.1
|
39.5
|
1.0
|
CA
|
B:LEU107
|
4.1
|
36.0
|
1.0
|
CD1
|
B:LEU107
|
4.2
|
41.9
|
1.0
|
CD
|
B:PRO105
|
4.2
|
35.3
|
1.0
|
C
|
B:PRO105
|
4.3
|
38.8
|
1.0
|
CG
|
B:ARG106
|
4.3
|
43.0
|
1.0
|
OD1
|
B:ASN104
|
4.5
|
39.6
|
1.0
|
NH2
|
B:ARG106
|
4.5
|
55.5
|
1.0
|
CA
|
B:PRO105
|
4.6
|
32.8
|
1.0
|
CZ
|
B:ARG106
|
4.7
|
61.9
|
1.0
|
CG
|
B:ASN104
|
4.7
|
50.8
|
1.0
|
CD
|
B:ARG106
|
4.8
|
49.1
|
1.0
|
CD2
|
B:LEU22
|
4.8
|
40.3
|
1.0
|
CG
|
B:PRO105
|
4.9
|
39.9
|
1.0
|
CG
|
B:LEU22
|
4.9
|
39.6
|
1.0
|
N
|
B:ASN104
|
4.9
|
36.7
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 3nrg
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Chlorine Binding Sites List in 3nrg
Chlorine binding site 3 out
of 5 in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl221
b:47.4
occ:1.00
|
O
|
C:HOH276
|
3.0
|
37.8
|
1.0
|
N
|
C:LEU107
|
3.2
|
28.1
|
1.0
|
N
|
C:ARG106
|
3.3
|
29.1
|
1.0
|
C
|
C:ASN104
|
3.4
|
32.4
|
1.0
|
CA
|
C:ASN104
|
3.4
|
30.6
|
1.0
|
CB
|
C:ARG106
|
3.7
|
28.9
|
1.0
|
CB
|
C:ASN104
|
3.7
|
28.3
|
1.0
|
N
|
C:PRO105
|
3.7
|
29.1
|
1.0
|
O
|
C:ASN104
|
3.8
|
31.0
|
1.0
|
CA
|
C:ARG106
|
3.8
|
28.2
|
1.0
|
CB
|
C:LEU107
|
4.0
|
27.8
|
1.0
|
C
|
C:ARG106
|
4.0
|
30.9
|
1.0
|
CG
|
C:LEU107
|
4.0
|
32.8
|
1.0
|
CA
|
C:LEU107
|
4.2
|
27.7
|
1.0
|
CD
|
C:PRO105
|
4.2
|
31.1
|
1.0
|
C
|
C:PRO105
|
4.3
|
33.0
|
1.0
|
CD1
|
C:LEU107
|
4.3
|
33.1
|
1.0
|
NE
|
C:ARG106
|
4.4
|
45.1
|
1.0
|
OD1
|
C:ASN104
|
4.5
|
37.9
|
1.0
|
CD1
|
C:LEU22
|
4.5
|
30.5
|
1.0
|
CA
|
C:PRO105
|
4.6
|
28.6
|
1.0
|
CG
|
C:ASN104
|
4.6
|
43.3
|
1.0
|
CG
|
C:ARG106
|
4.6
|
34.1
|
1.0
|
N
|
C:ASN104
|
4.8
|
32.2
|
1.0
|
CG
|
C:PRO105
|
4.9
|
35.8
|
1.0
|
NH2
|
C:ARG106
|
4.9
|
46.6
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 3nrg
Go back to
Chlorine Binding Sites List in 3nrg
Chlorine binding site 4 out
of 5 in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl217
b:43.6
occ:1.00
|
N
|
D:ARG106
|
3.3
|
30.2
|
1.0
|
N
|
D:LEU107
|
3.4
|
31.3
|
1.0
|
C
|
D:ASN104
|
3.5
|
32.2
|
1.0
|
CA
|
D:ASN104
|
3.5
|
31.4
|
1.0
|
CB
|
D:ARG106
|
3.6
|
30.9
|
1.0
|
N
|
D:PRO105
|
3.7
|
28.5
|
1.0
|
NE
|
D:ARG106
|
3.8
|
52.5
|
1.0
|
CA
|
D:ARG106
|
3.8
|
30.4
|
1.0
|
O
|
D:ASN104
|
4.0
|
30.6
|
1.0
|
CD
|
D:PRO105
|
4.0
|
30.5
|
1.0
|
CB
|
D:ASN104
|
4.0
|
31.2
|
1.0
|
C
|
D:ARG106
|
4.1
|
34.5
|
1.0
|
CD1
|
D:LEU22
|
4.2
|
38.6
|
1.0
|
CG
|
D:LEU107
|
4.2
|
37.2
|
1.0
|
CB
|
D:LEU107
|
4.3
|
31.4
|
1.0
|
CG
|
D:ARG106
|
4.3
|
37.8
|
1.0
|
C
|
D:PRO105
|
4.3
|
33.4
|
1.0
|
NH2
|
D:ARG106
|
4.4
|
55.6
|
1.0
|
CA
|
D:LEU107
|
4.4
|
31.2
|
1.0
|
CD1
|
D:LEU107
|
4.5
|
37.9
|
1.0
|
CA
|
D:PRO105
|
4.5
|
27.9
|
1.0
|
CZ
|
D:ARG106
|
4.5
|
64.7
|
1.0
|
CG
|
D:PRO105
|
4.6
|
35.1
|
1.0
|
CD
|
D:ARG106
|
4.6
|
49.0
|
1.0
|
OD1
|
D:ASN104
|
4.6
|
52.9
|
1.0
|
CG
|
D:ASN104
|
4.8
|
55.8
|
1.0
|
N
|
D:ASN104
|
4.8
|
33.0
|
1.0
|
O
|
D:HIS103
|
4.9
|
39.9
|
1.0
|
CD2
|
D:LEU22
|
5.0
|
38.5
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 3nrg
Go back to
Chlorine Binding Sites List in 3nrg
Chlorine binding site 5 out
of 5 in the Crystal Structure of A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 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 A Tetr Family Transcriptional Regulator (CAUR_2714) From Chloroflexus Aurantiacus J-10-Fl at 2.56 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl219
b:54.5
occ:1.00
|
N
|
E:ARG106
|
3.3
|
34.7
|
1.0
|
N
|
E:LEU107
|
3.3
|
34.9
|
1.0
|
C
|
E:ASN104
|
3.5
|
35.6
|
1.0
|
CA
|
E:ASN104
|
3.5
|
33.8
|
1.0
|
CB
|
E:ARG106
|
3.5
|
36.6
|
1.0
|
CA
|
E:ARG106
|
3.8
|
35.2
|
1.0
|
NE
|
E:ARG106
|
3.8
|
56.4
|
1.0
|
N
|
E:PRO105
|
3.8
|
32.2
|
1.0
|
CB
|
E:ASN104
|
3.9
|
34.3
|
1.0
|
O
|
E:ASN104
|
4.0
|
34.3
|
1.0
|
C
|
E:ARG106
|
4.0
|
39.0
|
1.0
|
CD1
|
E:LEU22
|
4.1
|
37.1
|
1.0
|
CG
|
E:LEU107
|
4.2
|
38.5
|
1.0
|
CD
|
E:PRO105
|
4.2
|
34.0
|
1.0
|
CB
|
E:LEU107
|
4.2
|
33.7
|
1.0
|
CG
|
E:ARG106
|
4.2
|
47.6
|
1.0
|
C
|
E:PRO105
|
4.3
|
37.3
|
1.0
|
CA
|
E:LEU107
|
4.4
|
34.3
|
1.0
|
NH2
|
E:ARG106
|
4.4
|
62.8
|
1.0
|
CD1
|
E:LEU107
|
4.5
|
38.3
|
1.0
|
OD1
|
E:ASN104
|
4.5
|
43.2
|
1.0
|
CZ
|
E:ARG106
|
4.6
|
72.6
|
1.0
|
CA
|
E:PRO105
|
4.6
|
32.0
|
1.0
|
CD
|
E:ARG106
|
4.6
|
54.6
|
1.0
|
CG
|
E:ASN104
|
4.7
|
52.2
|
1.0
|
CG
|
E:PRO105
|
4.8
|
38.8
|
1.0
|
N
|
E:ASN104
|
4.9
|
35.4
|
1.0
|
CD2
|
E:LEU22
|
4.9
|
37.0
|
1.0
|
O
|
E:HIS103
|
5.0
|
41.7
|
1.0
|
CG
|
E:LEU22
|
5.0
|
37.4
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 01:09:44 2024
|