Chlorine in PDB 7a8s: De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension
Protein crystallography data
The structure of De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension, PDB code: 7a8s
was solved by
S.Shanmugaratnam,
J.G.Wiese,
B.Hocker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.23 /
1.58
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.51,
50.51,
133.274,
90,
90,
90
|
R / Rfree (%)
|
20 /
24
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension
(pdb code 7a8s). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the
De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension, PDB code: 7a8s:
Chlorine binding site 1 out
of 1 in 7a8s
Go back to
Chlorine Binding Sites List in 7a8s
Chlorine binding site 1 out
of 1 in the De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of De Novo Designed BA8-Barrel STIM11 with An Alpha-Helical Extension within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:30.2
occ:1.00
|
HH12
|
A:ARG166
|
2.3
|
42.4
|
1.0
|
HH22
|
A:ARG166
|
2.5
|
36.5
|
1.0
|
HH11
|
A:ARG69
|
2.6
|
54.4
|
1.0
|
HD2
|
A:ARG69
|
2.8
|
49.4
|
1.0
|
HD2
|
A:ARG23
|
2.8
|
46.0
|
1.0
|
HG21
|
A:ILE42
|
3.1
|
28.8
|
1.0
|
NH1
|
A:ARG166
|
3.1
|
35.2
|
1.0
|
HG23
|
A:ILE88
|
3.1
|
37.6
|
1.0
|
HD13
|
A:ILE42
|
3.2
|
30.3
|
1.0
|
NH2
|
A:ARG166
|
3.3
|
30.4
|
1.0
|
HD13
|
A:ILE88
|
3.4
|
29.8
|
1.0
|
NH1
|
A:ARG69
|
3.4
|
45.3
|
1.0
|
HD12
|
A:ILE88
|
3.6
|
29.8
|
1.0
|
HB2
|
A:ARG69
|
3.6
|
29.8
|
1.0
|
CZ
|
A:ARG166
|
3.6
|
39.8
|
1.0
|
CD
|
A:ARG69
|
3.7
|
41.1
|
1.0
|
HG3
|
A:ARG69
|
3.7
|
34.0
|
1.0
|
HH11
|
A:ARG166
|
3.7
|
42.4
|
1.0
|
CD
|
A:ARG23
|
3.8
|
38.3
|
1.0
|
HH12
|
A:ARG69
|
3.8
|
54.4
|
1.0
|
HD3
|
A:ARG120
|
3.9
|
58.2
|
1.0
|
CD1
|
A:ILE88
|
4.0
|
24.8
|
1.0
|
CG2
|
A:ILE42
|
4.0
|
23.9
|
1.0
|
HD13
|
A:ILE185
|
4.0
|
26.0
|
1.0
|
CG2
|
A:ILE88
|
4.0
|
31.3
|
1.0
|
HH21
|
A:ARG166
|
4.0
|
36.5
|
1.0
|
HD13
|
A:ILE139
|
4.1
|
29.1
|
1.0
|
CG
|
A:ARG69
|
4.1
|
28.3
|
1.0
|
CD1
|
A:ILE42
|
4.1
|
25.2
|
1.0
|
HG21
|
A:ILE88
|
4.1
|
37.6
|
1.0
|
HG3
|
A:ARG23
|
4.2
|
36.9
|
1.0
|
NE
|
A:ARG23
|
4.2
|
52.4
|
1.0
|
HD12
|
A:ILE42
|
4.2
|
30.3
|
1.0
|
HG22
|
A:ILE42
|
4.2
|
28.8
|
1.0
|
HG21
|
A:ILE185
|
4.3
|
27.3
|
1.0
|
HD3
|
A:ARG69
|
4.3
|
49.4
|
1.0
|
CB
|
A:ARG69
|
4.3
|
24.8
|
1.0
|
HD3
|
A:ARG23
|
4.4
|
46.0
|
1.0
|
HE
|
A:ARG23
|
4.4
|
63.0
|
1.0
|
HB2
|
A:ARG23
|
4.4
|
28.4
|
1.0
|
CZ
|
A:ARG69
|
4.4
|
55.0
|
1.0
|
HG23
|
A:ILE42
|
4.4
|
28.8
|
1.0
|
CG
|
A:ARG23
|
4.5
|
30.7
|
1.0
|
NE
|
A:ARG69
|
4.5
|
45.2
|
1.0
|
HB
|
A:ILE88
|
4.6
|
32.3
|
1.0
|
HD11
|
A:ILE88
|
4.6
|
29.8
|
1.0
|
HG22
|
A:ILE88
|
4.6
|
37.6
|
1.0
|
HD11
|
A:ILE42
|
4.7
|
30.3
|
1.0
|
HB3
|
A:ARG69
|
4.7
|
29.8
|
1.0
|
HH11
|
A:ARG23
|
4.7
|
70.1
|
1.0
|
CD
|
A:ARG120
|
4.7
|
48.4
|
1.0
|
CB
|
A:ILE88
|
4.7
|
26.9
|
1.0
|
CZ
|
A:ARG23
|
4.8
|
70.5
|
1.0
|
HD2
|
A:ARG120
|
4.8
|
58.2
|
1.0
|
CD1
|
A:ILE139
|
4.8
|
24.2
|
1.0
|
CD1
|
A:ILE185
|
4.9
|
21.6
|
1.0
|
HD12
|
A:ILE139
|
4.9
|
29.1
|
1.0
|
CB
|
A:ILE42
|
4.9
|
19.0
|
1.0
|
CG1
|
A:ILE88
|
4.9
|
26.1
|
1.0
|
HB
|
A:ILE42
|
4.9
|
22.9
|
1.0
|
NE
|
A:ARG166
|
4.9
|
31.5
|
1.0
|
CG1
|
A:ILE42
|
5.0
|
22.9
|
1.0
|
NH1
|
A:ARG23
|
5.0
|
58.4
|
1.0
|
HG21
|
A:ILE139
|
5.0
|
29.1
|
1.0
|
CB
|
A:ARG23
|
5.0
|
23.6
|
1.0
|
|
Reference:
J.G.Wiese,
S.Shanmugaratnam,
B.Hocker.
Extension of A De Novo Tim Barrel with A Rationally Designed Secondary Structure Element Protein Sci. 2021.
ISSN: ESSN 1469-896X
DOI: 10.1002/PRO.4064
Page generated: Sat Apr 3 14:22:31 2021
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