Chlorine in PDB 2rhm: Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution, PDB code: 2rhm
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)
|
29.76 /
1.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.930,
76.790,
129.110,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.1 /
22.1
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution
(pdb code 2rhm). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution, PDB code: 2rhm:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 2rhm
Go back to
Chlorine Binding Sites List in 2rhm
Chlorine binding site 1 out
of 4 in the Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 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 Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl193
b:37.1
occ:1.00
|
O
|
A:HOH196
|
3.0
|
26.3
|
1.0
|
O
|
A:HOH221
|
3.0
|
36.6
|
1.0
|
N
|
A:GLY16
|
3.2
|
27.3
|
1.0
|
OG1
|
A:THR18
|
3.3
|
33.6
|
1.0
|
CA
|
A:GLY16
|
3.4
|
27.3
|
1.0
|
NH2
|
A:ARG124
|
3.5
|
52.0
|
1.0
|
N
|
A:LYS17
|
3.5
|
28.2
|
1.0
|
N
|
A:THR18
|
3.5
|
28.2
|
1.0
|
C
|
A:GLY16
|
3.6
|
28.3
|
1.0
|
CA
|
A:ALA14
|
3.7
|
27.5
|
1.0
|
NH1
|
A:ARG124
|
3.8
|
45.0
|
1.0
|
N
|
A:ALA14
|
3.8
|
26.6
|
1.0
|
CB
|
A:THR18
|
3.9
|
29.4
|
1.0
|
C
|
A:ALA14
|
3.9
|
26.0
|
1.0
|
O
|
A:HOH246
|
3.9
|
41.8
|
1.0
|
N
|
A:THR15
|
4.0
|
25.1
|
1.0
|
CZ
|
A:ARG124
|
4.1
|
49.9
|
1.0
|
CG
|
A:LYS17
|
4.2
|
27.0
|
1.0
|
CA
|
A:THR18
|
4.3
|
28.7
|
1.0
|
C
|
A:THR15
|
4.3
|
26.4
|
1.0
|
CA
|
A:LYS17
|
4.4
|
27.7
|
1.0
|
C
|
A:LYS17
|
4.4
|
28.1
|
1.0
|
O
|
A:GLY16
|
4.4
|
29.6
|
1.0
|
O
|
A:ALA14
|
4.5
|
25.9
|
1.0
|
CA
|
A:THR15
|
4.8
|
25.1
|
1.0
|
N
|
A:THR19
|
4.9
|
30.6
|
1.0
|
CB
|
A:LYS17
|
4.9
|
27.3
|
1.0
|
NZ
|
A:LYS17
|
5.0
|
32.0
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 2rhm
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Chlorine Binding Sites List in 2rhm
Chlorine binding site 2 out
of 4 in the Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 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 Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl193
b:35.3
occ:1.00
|
O
|
B:HOH252
|
2.8
|
35.4
|
1.0
|
O
|
B:HOH216
|
2.8
|
28.8
|
1.0
|
N
|
B:GLY16
|
3.1
|
24.9
|
1.0
|
NH1
|
B:ARG124
|
3.4
|
41.8
|
1.0
|
CA
|
B:GLY16
|
3.4
|
25.4
|
1.0
|
N
|
B:LYS17
|
3.4
|
23.2
|
1.0
|
N
|
B:THR18
|
3.5
|
23.4
|
1.0
|
OG1
|
B:THR18
|
3.5
|
27.8
|
1.0
|
C
|
B:GLY16
|
3.6
|
24.5
|
1.0
|
CA
|
B:ALA14
|
3.8
|
23.6
|
1.0
|
CB
|
B:THR18
|
3.9
|
27.3
|
1.0
|
C
|
B:ALA14
|
3.9
|
21.5
|
1.0
|
N
|
B:THR15
|
4.0
|
21.4
|
1.0
|
N
|
B:ALA14
|
4.0
|
24.1
|
1.0
|
CG
|
B:LYS17
|
4.2
|
24.8
|
1.0
|
CA
|
B:THR18
|
4.3
|
26.0
|
1.0
|
C
|
B:THR15
|
4.3
|
25.0
|
1.0
|
CA
|
B:LYS17
|
4.4
|
24.1
|
1.0
|
C
|
B:LYS17
|
4.4
|
24.0
|
1.0
|
O
|
B:GLY16
|
4.4
|
23.4
|
1.0
|
CZ
|
B:ARG124
|
4.4
|
46.5
|
1.0
|
O
|
B:ALA14
|
4.4
|
22.1
|
1.0
|
O1
|
B:BEZ194
|
4.4
|
45.7
|
1.0
|
NH2
|
B:ARG124
|
4.5
|
46.9
|
1.0
|
O2
|
B:BEZ194
|
4.7
|
43.7
|
1.0
|
CA
|
B:THR15
|
4.7
|
21.4
|
1.0
|
N
|
B:THR19
|
4.8
|
28.0
|
1.0
|
CB
|
B:LYS17
|
4.9
|
24.6
|
1.0
|
C
|
B:BEZ194
|
4.9
|
44.0
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 2rhm
Go back to
Chlorine Binding Sites List in 2rhm
Chlorine binding site 3 out
of 4 in the Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 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 Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl193
b:43.4
occ:1.00
|
N
|
C:GLY16
|
3.0
|
27.1
|
1.0
|
O
|
C:HOH264
|
3.0
|
47.4
|
1.0
|
O
|
C:HOH241
|
3.3
|
41.7
|
1.0
|
CA
|
C:GLY16
|
3.3
|
26.3
|
1.0
|
N
|
C:LYS17
|
3.4
|
26.9
|
1.0
|
OG1
|
C:THR18
|
3.4
|
37.7
|
1.0
|
C
|
C:GLY16
|
3.5
|
26.7
|
1.0
|
N
|
C:THR18
|
3.6
|
27.3
|
1.0
|
NH1
|
C:ARG124
|
3.6
|
61.2
|
1.0
|
CA
|
C:ALA14
|
3.8
|
29.6
|
1.0
|
N
|
C:THR15
|
3.8
|
27.1
|
1.0
|
N
|
C:ALA14
|
3.8
|
30.4
|
1.0
|
C
|
C:ALA14
|
3.9
|
28.0
|
1.0
|
NH2
|
C:ARG124
|
3.9
|
59.7
|
1.0
|
CB
|
C:THR18
|
3.9
|
30.6
|
1.0
|
CG
|
C:LYS17
|
4.1
|
29.1
|
1.0
|
C
|
C:THR15
|
4.2
|
27.3
|
1.0
|
CZ
|
C:ARG124
|
4.2
|
62.1
|
1.0
|
CA
|
C:LYS17
|
4.3
|
27.4
|
1.0
|
CA
|
C:THR18
|
4.4
|
29.9
|
1.0
|
O
|
C:GLY16
|
4.4
|
26.0
|
1.0
|
C
|
C:LYS17
|
4.5
|
26.8
|
1.0
|
O
|
C:ALA14
|
4.5
|
28.7
|
1.0
|
CA
|
C:THR15
|
4.6
|
26.4
|
1.0
|
CB
|
C:LYS17
|
4.8
|
28.3
|
1.0
|
OG1
|
C:THR15
|
4.9
|
25.0
|
1.0
|
NZ
|
C:LYS17
|
5.0
|
35.6
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 2rhm
Go back to
Chlorine Binding Sites List in 2rhm
Chlorine binding site 4 out
of 4 in the Crystal Structure of A Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 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 Putative Kinase (CAUR_3907) From Chloroflexus Aurantiacus J-10-Fl at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl193
b:26.7
occ:1.00
|
O
|
D:HOH303
|
2.9
|
31.2
|
1.0
|
O
|
D:HOH286
|
3.1
|
26.8
|
1.0
|
N
|
D:GLY16
|
3.1
|
25.0
|
1.0
|
NH1
|
D:ARG124
|
3.3
|
32.3
|
1.0
|
CA
|
D:GLY16
|
3.4
|
25.8
|
1.0
|
N
|
D:LYS17
|
3.5
|
27.1
|
1.0
|
N
|
D:THR18
|
3.6
|
27.5
|
1.0
|
OG1
|
D:THR18
|
3.6
|
28.4
|
1.0
|
C
|
D:GLY16
|
3.6
|
27.6
|
1.0
|
CA
|
D:ALA14
|
3.7
|
25.9
|
1.0
|
CB
|
D:THR18
|
3.8
|
28.3
|
1.0
|
C
|
D:ALA14
|
3.8
|
24.5
|
1.0
|
O
|
D:HOH295
|
3.8
|
29.0
|
1.0
|
N
|
D:THR15
|
3.9
|
23.7
|
1.0
|
N
|
D:ALA14
|
4.0
|
26.6
|
1.0
|
NH2
|
D:ARG124
|
4.1
|
36.7
|
1.0
|
CZ
|
D:ARG124
|
4.2
|
31.9
|
1.0
|
CG
|
D:LYS17
|
4.3
|
26.9
|
1.0
|
CA
|
D:THR18
|
4.3
|
26.2
|
1.0
|
C
|
D:THR15
|
4.3
|
23.1
|
1.0
|
O
|
D:ALA14
|
4.4
|
24.9
|
1.0
|
CA
|
D:LYS17
|
4.4
|
27.4
|
1.0
|
O
|
D:GLY16
|
4.4
|
26.3
|
1.0
|
C
|
D:LYS17
|
4.5
|
26.7
|
1.0
|
O1
|
D:BEZ194
|
4.6
|
30.4
|
1.0
|
O2
|
D:BEZ194
|
4.7
|
32.7
|
1.0
|
CA
|
D:THR15
|
4.7
|
22.7
|
1.0
|
N
|
D:THR19
|
4.9
|
27.4
|
1.0
|
CB
|
D:LYS17
|
4.9
|
27.1
|
1.0
|
CB
|
D:ALA14
|
5.0
|
27.2
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 11:19:39 2024
|