Chlorine in PDB 7bb1: Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
Enzymatic activity of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
All present enzymatic activity of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1:
3.2.1.17;
Protein crystallography data
The structure of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1, PDB code: 7bb1
was solved by
B.D.Belviso,
R.Caliandro,
B.Carrozzini,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
27.92 /
1.30
|
|
Space group
|
P 43 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.964,
78.964,
37.093,
90,
90,
90
|
|
R / Rfree (%)
|
10.9 /
14.1
|
Other elements in 7bb1:
The structure of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
13;
Binding sites:
The binding sites of Chlorine atom in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
(pdb code 7bb1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the
Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1, PDB code: 7bb1:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 1 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:11.4
occ:0.97
|
HH
|
A:TYR23
|
2.2
|
10.5
|
1.0
|
|
OH
|
A:TYR23
|
3.0
|
8.7
|
1.0
|
|
O
|
A:HOH448
|
3.1
|
29.4
|
0.9
|
|
HE2
|
A:TYR23
|
3.2
|
9.1
|
1.0
|
|
O
|
A:HOH344
|
3.2
|
9.3
|
0.8
|
|
HA3
|
A:GLY104
|
3.4
|
9.8
|
1.0
|
|
CZ
|
A:TYR23
|
3.7
|
7.9
|
1.0
|
|
CE2
|
A:TYR23
|
3.7
|
7.5
|
1.0
|
|
HA2
|
A:GLY104
|
4.1
|
9.8
|
1.0
|
|
CA
|
A:GLY104
|
4.2
|
8.1
|
1.0
|
|
O
|
A:HOH347
|
4.5
|
33.6
|
0.9
|
|
O
|
A:ARG21
|
4.6
|
10.5
|
1.0
|
|
N
|
A:GLY104
|
4.7
|
9.0
|
1.0
|
|
H
|
A:MET105
|
4.8
|
7.9
|
1.0
|
|
CE1
|
A:TYR23
|
4.9
|
7.6
|
1.0
|
|
H
|
A:GLY104
|
4.9
|
10.8
|
1.0
|
|
CD2
|
A:TYR23
|
4.9
|
7.5
|
1.0
|
|
HB3
|
A:ARG21
|
4.9
|
16.8
|
1.0
|
|
Chlorine binding site 2 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 2 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl205
b:13.4
occ:0.78
|
HG
|
A:SER24
|
2.2
|
14.4
|
1.0
|
|
H
|
A:GLY26
|
2.5
|
9.4
|
1.0
|
|
HA
|
A:GLN121
|
2.7
|
13.2
|
1.0
|
|
HA3
|
A:GLY26
|
2.8
|
9.6
|
1.0
|
|
HB2
|
A:SER24
|
2.9
|
13.4
|
1.0
|
|
O
|
A:HOH439
|
3.0
|
30.4
|
1.0
|
|
OG
|
A:SER24
|
3.0
|
12.0
|
1.0
|
|
HG23
|
A:VAL120
|
3.2
|
12.0
|
1.0
|
|
N
|
A:GLY26
|
3.2
|
7.8
|
1.0
|
|
HD11
|
A:ILE124
|
3.2
|
18.9
|
1.0
|
|
HB2
|
A:GLN121
|
3.4
|
17.3
|
1.0
|
|
CB
|
A:SER24
|
3.5
|
11.2
|
1.0
|
|
CA
|
A:GLY26
|
3.5
|
8.0
|
1.0
|
|
CA
|
A:GLN121
|
3.5
|
11.0
|
1.0
|
|
HD13
|
A:ILE124
|
3.6
|
18.9
|
1.0
|
|
HG12
|
A:ILE124
|
3.6
|
17.4
|
1.0
|
|
HG2
|
A:GLN121
|
3.7
|
20.3
|
1.0
|
|
CD1
|
A:ILE124
|
3.8
|
15.7
|
1.0
|
|
N
|
A:GLN121
|
3.8
|
9.9
|
1.0
|
|
CB
|
A:GLN121
|
3.9
|
14.4
|
1.0
|
|
HB3
|
A:SER24
|
4.0
|
13.4
|
1.0
|
|
H
|
A:GLN121
|
4.1
|
11.9
|
1.0
|
|
H
|
A:ASN27
|
4.1
|
7.9
|
1.0
|
|
HA2
|
A:GLY26
|
4.1
|
9.6
|
1.0
|
|
CG2
|
A:VAL120
|
4.1
|
10.0
|
1.0
|
|
C
|
A:VAL120
|
4.2
|
9.4
|
1.0
|
|
CG1
|
A:ILE124
|
4.2
|
14.4
|
1.0
|
|
CG
|
A:GLN121
|
4.2
|
16.9
|
1.0
|
|
O
|
A:VAL120
|
4.3
|
9.5
|
1.0
|
|
H
|
A:LEU25
|
4.3
|
12.4
|
0.5
|
|
H
|
A:LEU25
|
4.3
|
12.4
|
0.6
|
|
N
|
A:LEU25
|
4.3
|
10.3
|
1.0
|
|
HG21
|
A:VAL120
|
4.4
|
12.0
|
1.0
|
|
C
|
A:LEU25
|
4.4
|
9.1
|
1.0
|
|
HG3
|
A:GLN121
|
4.5
|
20.3
|
1.0
|
|
C
|
A:GLY26
|
4.5
|
6.7
|
1.0
|
|
C
|
A:SER24
|
4.5
|
9.6
|
1.0
|
|
N
|
A:ASN27
|
4.6
|
6.5
|
1.0
|
|
HB3
|
A:LEU25
|
4.6
|
13.9
|
0.6
|
|
HG22
|
A:VAL120
|
4.6
|
12.0
|
1.0
|
|
CA
|
A:SER24
|
4.6
|
9.6
|
1.0
|
|
HG13
|
A:ILE124
|
4.6
|
17.4
|
1.0
|
|
HD12
|
A:ILE124
|
4.7
|
18.9
|
1.0
|
|
O
|
A:HOH311
|
4.7
|
25.3
|
1.0
|
|
O
|
A:HOH491
|
4.7
|
42.3
|
1.0
|
|
HB
|
A:VAL120
|
4.8
|
11.2
|
1.0
|
|
HB3
|
A:GLN121
|
4.8
|
17.3
|
1.0
|
|
C
|
A:GLN121
|
4.8
|
10.0
|
1.0
|
|
HB2
|
A:LEU25
|
4.8
|
13.7
|
0.5
|
|
O
|
A:HOH419
|
4.9
|
18.2
|
1.0
|
|
CA
|
A:LEU25
|
4.9
|
10.4
|
0.6
|
|
CA
|
A:LEU25
|
4.9
|
10.4
|
0.5
|
|
HD22
|
A:ASN27
|
4.9
|
9.3
|
1.0
|
|
CB
|
A:VAL120
|
5.0
|
9.3
|
1.0
|
|
O
|
A:SER24
|
5.0
|
9.3
|
1.0
|
|
Chlorine binding site 3 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 3 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl206
b:18.0
occ:0.83
|
H
|
A:ILE88
|
2.5
|
11.8
|
1.0
|
|
HG12
|
A:ILE88
|
2.7
|
13.1
|
1.0
|
|
HA
|
A:ASP87
|
2.9
|
16.0
|
1.0
|
|
HE1
|
A:HIS15
|
3.0
|
21.7
|
1.0
|
|
O
|
A:HOH505
|
3.1
|
30.8
|
0.7
|
|
O
|
A:HOH323
|
3.2
|
19.7
|
1.0
|
|
N
|
A:ILE88
|
3.3
|
9.8
|
1.0
|
|
HB1
|
A:ALA11
|
3.3
|
13.8
|
1.0
|
|
HG23
|
A:ILE88
|
3.5
|
13.7
|
1.0
|
|
HZ
|
A:PHE3
|
3.6
|
13.0
|
1.0
|
|
CG1
|
A:ILE88
|
3.7
|
10.9
|
1.0
|
|
CE1
|
A:HIS15
|
3.7
|
18.1
|
1.0
|
|
CA
|
A:ASP87
|
3.8
|
13.3
|
1.0
|
|
HG13
|
A:ILE88
|
4.1
|
13.1
|
1.0
|
|
C
|
A:ASP87
|
4.1
|
11.1
|
1.0
|
|
HB2
|
A:ALA11
|
4.1
|
13.8
|
1.0
|
|
OD1
|
A:ASP87
|
4.1
|
19.2
|
1.0
|
|
CB
|
A:ALA11
|
4.1
|
11.5
|
1.0
|
|
CG
|
A:ASP87
|
4.2
|
19.6
|
1.0
|
|
CB
|
A:ILE88
|
4.3
|
10.3
|
1.0
|
|
CG2
|
A:ILE88
|
4.3
|
11.4
|
1.0
|
|
O
|
A:SER86
|
4.3
|
14.1
|
1.0
|
|
CA
|
A:ILE88
|
4.4
|
9.2
|
1.0
|
|
O
|
A:HOH476
|
4.4
|
29.1
|
0.9
|
|
ND1
|
A:HIS15
|
4.4
|
17.6
|
1.0
|
|
HD1
|
A:HIS15
|
4.5
|
21.1
|
1.0
|
|
CZ
|
A:PHE3
|
4.5
|
10.8
|
1.0
|
|
OD2
|
A:ASP87
|
4.5
|
22.9
|
1.0
|
|
CB
|
A:ASP87
|
4.5
|
16.7
|
1.0
|
|
NE2
|
A:HIS15
|
4.6
|
19.2
|
1.0
|
|
HD13
|
A:ILE88
|
4.6
|
14.1
|
1.0
|
|
CD1
|
A:ILE88
|
4.6
|
11.8
|
1.0
|
|
HD11
|
A:ILE88
|
4.6
|
14.1
|
1.0
|
|
HB3
|
A:ALA11
|
4.6
|
13.8
|
1.0
|
|
H
|
A:THR89
|
4.6
|
11.8
|
1.0
|
|
HE2
|
A:PHE3
|
4.6
|
12.3
|
1.0
|
|
HG21
|
A:ILE88
|
4.7
|
13.7
|
1.0
|
|
HZ3
|
A:LYS1
|
4.8
|
22.5
|
1.0
|
|
HB2
|
A:ASP87
|
4.8
|
20.0
|
1.0
|
|
N
|
A:ASP87
|
4.9
|
12.2
|
1.0
|
|
HG1
|
A:THR89
|
4.9
|
18.2
|
1.0
|
|
O
|
A:HOH315
|
4.9
|
31.1
|
0.8
|
|
Chlorine binding site 4 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 4 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl207
b:13.0
occ:0.54
|
H2
|
A:LYS1
|
1.9
|
14.5
|
1.0
|
|
HE21
|
A:GLN41
|
2.2
|
10.4
|
1.0
|
|
N
|
A:LYS1
|
2.7
|
12.1
|
1.0
|
|
OD1
|
A:ASN39
|
2.8
|
7.6
|
1.0
|
|
HG3
|
A:GLN41
|
2.9
|
9.4
|
1.0
|
|
NE2
|
A:GLN41
|
3.0
|
8.7
|
1.0
|
|
H1
|
A:LYS1
|
3.0
|
14.5
|
1.0
|
|
H3
|
A:LYS1
|
3.2
|
14.5
|
1.0
|
|
HG23
|
A:VAL2
|
3.3
|
14.4
|
1.0
|
|
HB2
|
A:GLN41
|
3.4
|
8.0
|
1.0
|
|
HE22
|
A:GLN41
|
3.5
|
10.4
|
1.0
|
|
CA
|
A:LYS1
|
3.6
|
12.2
|
1.0
|
|
CG
|
A:GLN41
|
3.6
|
7.8
|
1.0
|
|
C
|
A:LYS1
|
3.6
|
10.6
|
1.0
|
|
HD21
|
A:ASN39
|
3.7
|
13.3
|
1.0
|
|
CG
|
A:ASN39
|
3.7
|
8.0
|
1.0
|
|
HA
|
A:LYS1
|
3.7
|
14.7
|
1.0
|
|
H
|
A:GLN41
|
3.7
|
7.6
|
1.0
|
|
CD
|
A:GLN41
|
3.8
|
8.9
|
1.0
|
|
O
|
A:LYS1
|
3.8
|
10.5
|
1.0
|
|
CB
|
A:GLN41
|
4.0
|
6.6
|
1.0
|
|
ND2
|
A:ASN39
|
4.0
|
11.1
|
1.0
|
|
HG22
|
A:VAL2
|
4.0
|
14.4
|
1.0
|
|
CG2
|
A:VAL2
|
4.1
|
12.0
|
1.0
|
|
N
|
A:VAL2
|
4.2
|
10.6
|
1.0
|
|
O
|
A:HOH374
|
4.2
|
19.1
|
0.7
|
|
H
|
A:VAL2
|
4.3
|
12.8
|
1.0
|
|
H
|
A:THR40
|
4.4
|
7.9
|
1.0
|
|
N
|
A:GLN41
|
4.4
|
6.3
|
1.0
|
|
HG2
|
A:GLN41
|
4.4
|
9.4
|
1.0
|
|
OG1
|
A:THR40
|
4.5
|
9.9
|
1.0
|
|
HA
|
A:ASN39
|
4.5
|
8.1
|
1.0
|
|
HG21
|
A:VAL2
|
4.6
|
14.4
|
1.0
|
|
HB3
|
A:GLN41
|
4.7
|
8.0
|
1.0
|
|
HD22
|
A:ASN39
|
4.8
|
13.3
|
1.0
|
|
N
|
A:THR40
|
4.8
|
6.6
|
1.0
|
|
CA
|
A:GLN41
|
4.9
|
6.5
|
1.0
|
|
HG1
|
A:THR40
|
4.9
|
11.8
|
1.0
|
|
CB
|
A:ASN39
|
4.9
|
7.4
|
1.0
|
|
O
|
A:HOH374
|
4.9
|
10.5
|
0.3
|
|
OE1
|
A:GLN41
|
4.9
|
11.0
|
1.0
|
|
HA
|
A:VAL2
|
5.0
|
12.7
|
1.0
|
|
CB
|
A:LYS1
|
5.0
|
13.8
|
1.0
|
|
Chlorine binding site 5 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 5 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl208
b:10.2
occ:0.80
|
H
|
A:THR69
|
2.4
|
11.1
|
1.0
|
|
O
|
A:HOH372
|
3.1
|
9.1
|
1.0
|
|
O
|
A:HOH428
|
3.2
|
16.1
|
0.6
|
|
HA2
|
A:GLY67
|
3.2
|
10.8
|
0.9
|
|
N
|
A:THR69
|
3.2
|
9.2
|
1.0
|
|
O
|
A:HOH444
|
3.2
|
23.1
|
1.0
|
|
H
|
A:GLY67
|
3.2
|
9.5
|
0.9
|
|
O
|
A:THR69
|
3.3
|
10.0
|
1.0
|
|
O
|
A:HOH414
|
3.4
|
36.2
|
0.9
|
|
H
|
A:ARG68
|
3.5
|
11.1
|
0.4
|
|
H
|
A:ARG68
|
3.5
|
11.1
|
0.6
|
|
N
|
A:ARG68
|
3.6
|
9.2
|
1.0
|
|
C
|
A:GLY67
|
3.6
|
9.3
|
0.9
|
|
HB
|
A:THR69
|
3.6
|
10.2
|
1.0
|
|
CA
|
A:GLY67
|
3.6
|
9.0
|
0.9
|
|
C
|
A:THR69
|
3.6
|
9.7
|
1.0
|
|
OD1
|
A:ASN65
|
3.7
|
12.7
|
1.0
|
|
N
|
A:GLY67
|
3.7
|
7.9
|
0.9
|
|
OG
|
A:SER72
|
3.7
|
11.5
|
1.0
|
|
CA
|
A:THR69
|
3.8
|
9.1
|
1.0
|
|
O
|
A:HOH396
|
4.0
|
11.3
|
1.0
|
|
CB
|
A:THR69
|
4.2
|
8.5
|
1.0
|
|
O
|
A:GLY67
|
4.2
|
10.9
|
0.9
|
|
H
|
A:ASP66
|
4.2
|
8.9
|
1.0
|
|
C
|
A:ARG68
|
4.2
|
10.5
|
1.0
|
|
OD1
|
A:ASP66
|
4.3
|
7.3
|
1.0
|
|
CA
|
A:ARG68
|
4.4
|
10.0
|
0.6
|
|
CA
|
A:ARG68
|
4.4
|
10.1
|
0.4
|
|
HG1
|
A:THR69
|
4.4
|
10.2
|
1.0
|
|
HA
|
A:PRO70
|
4.4
|
13.3
|
1.0
|
|
HA
|
A:ARG68
|
4.5
|
12.0
|
0.6
|
|
N
|
A:PRO70
|
4.5
|
10.0
|
1.0
|
|
HA
|
A:ARG68
|
4.6
|
12.1
|
0.4
|
|
HA3
|
A:GLY67
|
4.6
|
10.8
|
0.9
|
|
H
|
A:SER72
|
4.6
|
15.1
|
1.0
|
|
O
|
A:HOH490
|
4.7
|
31.7
|
0.7
|
|
NA
|
A:NA217
|
4.7
|
7.0
|
0.8
|
|
HA
|
A:THR69
|
4.8
|
11.0
|
1.0
|
|
O
|
A:HOH365
|
4.8
|
19.2
|
0.5
|
|
C
|
A:ASP66
|
4.8
|
8.2
|
1.0
|
|
OG1
|
A:THR69
|
4.8
|
8.5
|
1.0
|
|
CG
|
A:ASN65
|
4.9
|
11.7
|
1.0
|
|
N
|
A:ASP66
|
4.9
|
7.5
|
1.0
|
|
HA
|
A:ASN65
|
4.9
|
9.6
|
1.0
|
|
CB
|
A:SER72
|
5.0
|
11.0
|
1.0
|
|
CA
|
A:PRO70
|
5.0
|
11.1
|
1.0
|
|
O
|
A:HOH328
|
5.0
|
31.0
|
0.8
|
|
Chlorine binding site 6 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 6 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl209
b:15.8
occ:0.60
|
H
|
A:SER24
|
2.1
|
10.7
|
1.0
|
|
HA
|
A:TYR23
|
2.9
|
9.3
|
1.0
|
|
N
|
A:SER24
|
2.9
|
8.9
|
1.0
|
|
HB3
|
A:SER24
|
2.9
|
13.4
|
1.0
|
|
HD22
|
A:ASN27
|
3.0
|
9.3
|
1.0
|
|
HD21
|
A:ASN27
|
3.1
|
9.3
|
1.0
|
|
O
|
A:GLY22
|
3.1
|
9.5
|
1.0
|
|
ND2
|
A:ASN27
|
3.3
|
7.8
|
1.0
|
|
OG
|
A:SER24
|
3.4
|
12.0
|
1.0
|
|
CB
|
A:SER24
|
3.5
|
11.2
|
1.0
|
|
O
|
A:HOH400
|
3.6
|
16.6
|
1.0
|
|
CA
|
A:TYR23
|
3.7
|
7.8
|
1.0
|
|
C
|
A:TYR23
|
3.8
|
8.6
|
1.0
|
|
CA
|
A:SER24
|
3.8
|
9.6
|
1.0
|
|
C
|
A:GLY22
|
4.1
|
9.0
|
1.0
|
|
HG
|
A:SER24
|
4.1
|
14.4
|
1.0
|
|
O
|
A:HOH496
|
4.2
|
29.8
|
0.7
|
|
O
|
A:HOH340
|
4.3
|
16.5
|
1.0
|
|
HA
|
A:SER24
|
4.3
|
11.5
|
1.0
|
|
N
|
A:TYR23
|
4.4
|
8.2
|
1.0
|
|
HB2
|
A:SER24
|
4.4
|
13.4
|
1.0
|
|
CG
|
A:ASN27
|
4.5
|
6.6
|
1.0
|
|
HD1
|
A:TYR23
|
4.6
|
9.5
|
1.0
|
|
OD1
|
A:ASN19
|
4.6
|
17.6
|
0.8
|
|
HB2
|
A:ASN27
|
4.8
|
8.0
|
1.0
|
|
CB
|
A:TYR23
|
4.8
|
8.0
|
1.0
|
|
HB3
|
A:TYR23
|
4.9
|
9.6
|
1.0
|
|
O
|
A:TYR23
|
5.0
|
9.1
|
1.0
|
|
C
|
A:SER24
|
5.0
|
9.6
|
1.0
|
|
Chlorine binding site 7 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 7 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl210
b:38.5
occ:1.00
|
H
|
A:ASN74
|
2.2
|
12.0
|
1.0
|
|
HE
|
A:ARG73
|
2.3
|
26.1
|
1.0
|
|
HH21
|
A:ARG73
|
2.9
|
29.4
|
1.0
|
|
HB3
|
A:ARG73
|
3.0
|
16.4
|
1.0
|
|
NE
|
A:ARG73
|
3.1
|
21.7
|
1.0
|
|
N
|
A:ASN74
|
3.1
|
10.0
|
1.0
|
|
HA
|
A:ARG73
|
3.2
|
14.3
|
1.0
|
|
HB3
|
A:ASN74
|
3.5
|
12.8
|
1.0
|
|
NH2
|
A:ARG73
|
3.5
|
24.5
|
1.0
|
|
CZ
|
A:ARG73
|
3.7
|
22.9
|
1.0
|
|
CB
|
A:ARG73
|
3.8
|
13.6
|
1.0
|
|
CA
|
A:ARG73
|
3.8
|
11.9
|
1.0
|
|
HD23
|
A:LEU75
|
3.8
|
16.8
|
1.0
|
|
CA
|
A:ASN74
|
3.9
|
10.1
|
1.0
|
|
C
|
A:ASN74
|
3.9
|
10.4
|
1.0
|
|
C
|
A:ARG73
|
3.9
|
10.7
|
1.0
|
|
O
|
A:ASN74
|
4.0
|
11.0
|
1.0
|
|
HD2
|
A:ARG73
|
4.0
|
23.1
|
1.0
|
|
CD
|
A:ARG73
|
4.1
|
19.2
|
1.0
|
|
CB
|
A:ASN74
|
4.1
|
10.7
|
1.0
|
|
HH22
|
A:ARG73
|
4.3
|
29.4
|
1.0
|
|
HA
|
A:LEU75
|
4.5
|
12.8
|
1.0
|
|
N
|
A:LEU75
|
4.5
|
9.9
|
1.0
|
|
CG
|
A:ARG73
|
4.5
|
16.1
|
1.0
|
|
HD21
|
A:LEU75
|
4.5
|
16.8
|
1.0
|
|
HB2
|
A:ASN74
|
4.5
|
12.8
|
1.0
|
|
HB2
|
A:ARG73
|
4.5
|
16.4
|
1.0
|
|
CD2
|
A:LEU75
|
4.6
|
14.0
|
1.0
|
|
HG
|
A:LEU75
|
4.6
|
15.2
|
1.0
|
|
O
|
A:HOH328
|
4.6
|
31.0
|
0.8
|
|
HA
|
A:ASN74
|
4.8
|
12.1
|
1.0
|
|
HD3
|
A:ARG73
|
4.9
|
23.1
|
1.0
|
|
H
|
A:LEU75
|
4.9
|
11.9
|
1.0
|
|
HG3
|
A:ARG73
|
5.0
|
19.4
|
1.0
|
|
O
|
A:HOH305
|
5.0
|
33.8
|
0.7
|
|
Chlorine binding site 8 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 8 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl211
b:23.6
occ:0.88
|
H
|
A:ARG128
|
2.5
|
23.4
|
1.0
|
|
HA
|
A:CYS127
|
3.0
|
16.3
|
1.0
|
|
HB3
|
A:CYS6
|
3.2
|
12.8
|
1.0
|
|
O
|
A:HOH480
|
3.3
|
30.3
|
0.9
|
|
N
|
A:ARG128
|
3.4
|
19.5
|
1.0
|
|
HB3
|
A:ARG128
|
3.5
|
28.1
|
1.0
|
|
HB2
|
A:CYS6
|
3.5
|
12.8
|
1.0
|
|
CB
|
A:CYS6
|
3.6
|
10.6
|
1.0
|
|
CA
|
A:CYS127
|
3.8
|
13.5
|
1.0
|
|
SG
|
A:CYS6
|
3.9
|
11.8
|
1.0
|
|
HB2
|
A:ARG128
|
3.9
|
28.1
|
1.0
|
|
CB
|
A:ARG128
|
4.0
|
23.4
|
1.0
|
|
C
|
A:CYS127
|
4.1
|
16.6
|
1.0
|
|
HB3
|
A:CYS127
|
4.2
|
14.3
|
1.0
|
|
O
|
A:HOH485
|
4.2
|
38.5
|
0.7
|
|
O
|
A:GLY126
|
4.3
|
13.3
|
1.0
|
|
CA
|
A:ARG128
|
4.3
|
22.7
|
1.0
|
|
CB
|
A:CYS127
|
4.5
|
11.9
|
1.0
|
|
O
|
A:ARG128
|
4.8
|
27.7
|
1.0
|
|
N
|
A:CYS127
|
4.9
|
12.6
|
1.0
|
|
C
|
A:GLY126
|
5.0
|
12.3
|
1.0
|
|
HD2
|
A:ARG128
|
5.0
|
29.0
|
1.0
|
|
Chlorine binding site 9 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 9 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl212
b:10.4
occ:0.57
|
H
|
A:LEU56
|
2.1
|
7.5
|
1.0
|
|
HG
|
A:SER91
|
2.5
|
8.9
|
1.0
|
|
O
|
A:TYR53
|
2.8
|
6.1
|
1.0
|
|
OG
|
A:SER91
|
2.8
|
7.4
|
1.0
|
|
HA3
|
A:GLY54
|
2.9
|
7.1
|
1.0
|
|
N
|
A:LEU56
|
2.9
|
6.2
|
1.0
|
|
HB3
|
A:SER91
|
3.0
|
8.5
|
1.0
|
|
HD12
|
A:ILE58
|
3.1
|
13.8
|
1.0
|
|
HB2
|
A:LEU56
|
3.1
|
9.1
|
1.0
|
|
HG22
|
A:ILE55
|
3.1
|
14.4
|
1.0
|
|
H
|
A:GLN57
|
3.2
|
7.5
|
1.0
|
|
H
|
A:ILE55
|
3.2
|
7.9
|
1.0
|
|
HG13
|
A:ILE58
|
3.3
|
12.0
|
1.0
|
|
N
|
A:ILE55
|
3.3
|
6.6
|
1.0
|
|
H
|
A:ILE58
|
3.3
|
7.0
|
1.0
|
|
C
|
A:GLY54
|
3.4
|
5.6
|
1.0
|
|
HB3
|
A:LEU83
|
3.4
|
13.4
|
1.0
|
|
CB
|
A:SER91
|
3.5
|
7.1
|
1.0
|
|
CA
|
A:GLY54
|
3.5
|
5.9
|
1.0
|
|
N
|
A:GLN57
|
3.6
|
6.2
|
1.0
|
|
CA
|
A:LEU56
|
3.6
|
6.7
|
1.0
|
|
C
|
A:LEU56
|
3.7
|
6.5
|
1.0
|
|
CD1
|
A:ILE58
|
3.7
|
11.5
|
1.0
|
|
HG23
|
A:ILE55
|
3.8
|
14.4
|
1.0
|
|
CB
|
A:LEU56
|
3.8
|
7.5
|
1.0
|
|
HB
|
A:ILE58
|
3.8
|
9.9
|
1.0
|
|
C
|
A:TYR53
|
3.8
|
5.6
|
1.0
|
|
CG2
|
A:ILE55
|
3.8
|
12.0
|
1.0
|
|
HD11
|
A:ILE58
|
3.9
|
13.8
|
1.0
|
|
CG1
|
A:ILE58
|
3.9
|
10.0
|
1.0
|
|
C
|
A:ILE55
|
3.9
|
6.9
|
1.0
|
|
O
|
A:GLY54
|
4.0
|
5.9
|
1.0
|
|
O
|
A:LEU83
|
4.1
|
10.5
|
1.0
|
|
CA
|
A:ILE55
|
4.1
|
7.4
|
1.0
|
|
HD22
|
A:LEU83
|
4.1
|
18.2
|
1.0
|
|
N
|
A:ILE58
|
4.1
|
5.8
|
1.0
|
|
N
|
A:GLY54
|
4.1
|
6.1
|
1.0
|
|
HB2
|
A:SER91
|
4.1
|
8.5
|
1.0
|
|
HA
|
A:SER91
|
4.2
|
8.2
|
1.0
|
|
HD13
|
A:LEU83
|
4.3
|
15.8
|
1.0
|
|
O
|
A:HOH313
|
4.3
|
11.3
|
1.0
|
|
HA2
|
A:GLY54
|
4.3
|
7.1
|
1.0
|
|
CB
|
A:ILE58
|
4.3
|
8.2
|
1.0
|
|
HB3
|
A:LEU56
|
4.4
|
9.1
|
1.0
|
|
CB
|
A:LEU83
|
4.4
|
11.2
|
1.0
|
|
CA
|
A:SER91
|
4.5
|
6.8
|
1.0
|
|
HA
|
A:LEU56
|
4.5
|
8.1
|
1.0
|
|
CB
|
A:ILE55
|
4.5
|
10.4
|
1.0
|
|
O
|
A:LEU56
|
4.6
|
7.6
|
1.0
|
|
HA
|
A:GLN57
|
4.6
|
6.8
|
1.0
|
|
CA
|
A:GLN57
|
4.6
|
5.7
|
1.0
|
|
HG21
|
A:ILE55
|
4.6
|
14.4
|
1.0
|
|
HD13
|
A:ILE58
|
4.6
|
13.8
|
1.0
|
|
HG
|
A:LEU56
|
4.7
|
10.3
|
1.0
|
|
HG12
|
A:ILE58
|
4.8
|
12.0
|
1.0
|
|
CG
|
A:LEU56
|
4.8
|
8.6
|
1.0
|
|
HD12
|
A:LEU56
|
4.8
|
11.6
|
1.0
|
|
HB2
|
A:LEU83
|
4.8
|
13.4
|
1.0
|
|
C
|
A:GLN57
|
4.9
|
6.5
|
1.0
|
|
CA
|
A:ILE58
|
4.9
|
6.7
|
1.0
|
|
HB
|
A:ILE55
|
4.9
|
12.5
|
1.0
|
|
HA
|
A:LEU83
|
4.9
|
12.5
|
1.0
|
|
HA
|
A:ILE55
|
4.9
|
8.9
|
1.0
|
|
CD2
|
A:LEU83
|
5.0
|
15.2
|
1.0
|
|
H
|
A:GLY54
|
5.0
|
7.4
|
1.0
|
|
C
|
A:LEU83
|
5.0
|
10.1
|
1.0
|
|
Chlorine binding site 10 out
of 13 in 7bb1
Go back to
Chlorine Binding Sites List in 7bb1
Chlorine binding site 10 out
of 13 in the Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Lysozyme Crystallized in the Presence of the Hydrated Deep Eutectic Solvent Choline Chloride-Glutamic Acid 2:1 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl213
b:38.5
occ:1.00
|
O
|
A:HOH435
|
2.2
|
19.7
|
0.7
|
|
H
|
A:GLU7
|
2.4
|
10.0
|
0.7
|
|
H
|
A:GLU7
|
2.4
|
10.0
|
0.3
|
|
H
|
A:CYS6
|
2.6
|
10.6
|
1.0
|
|
HG3
|
A:GLU7
|
2.7
|
16.5
|
0.3
|
|
HA3
|
A:GLY4
|
2.8
|
12.0
|
1.0
|
|
HB2
|
A:CYS6
|
2.8
|
12.8
|
1.0
|
|
O
|
A:HOH480
|
3.1
|
30.3
|
0.9
|
|
N
|
A:CYS6
|
3.2
|
8.8
|
1.0
|
|
N
|
A:GLU7
|
3.2
|
8.3
|
1.0
|
|
HB2
|
A:GLU7
|
3.4
|
11.5
|
0.7
|
|
C
|
A:GLY4
|
3.4
|
8.3
|
1.0
|
|
CA
|
A:GLY4
|
3.5
|
10.0
|
1.0
|
|
CG
|
A:GLU7
|
3.6
|
13.8
|
0.3
|
|
N
|
A:ARG5
|
3.6
|
9.0
|
1.0
|
|
CB
|
A:CYS6
|
3.6
|
10.6
|
1.0
|
|
H
|
A:ARG5
|
3.7
|
10.8
|
1.0
|
|
CA
|
A:CYS6
|
3.7
|
8.9
|
1.0
|
|
HB2
|
A:GLU7
|
3.8
|
13.6
|
0.3
|
|
O
|
A:GLY4
|
3.9
|
8.6
|
1.0
|
|
HB3
|
A:GLU7
|
3.9
|
11.5
|
0.7
|
|
C
|
A:CYS6
|
3.9
|
9.2
|
1.0
|
|
CB
|
A:GLU7
|
4.0
|
9.6
|
0.7
|
|
CB
|
A:GLU7
|
4.0
|
11.3
|
0.3
|
|
O
|
A:HOH481
|
4.1
|
42.2
|
1.0
|
|
H
|
A:GLY4
|
4.2
|
12.1
|
1.0
|
|
C
|
A:ARG5
|
4.2
|
8.4
|
1.0
|
|
HA2
|
A:GLY4
|
4.2
|
12.0
|
1.0
|
|
CD
|
A:GLU7
|
4.2
|
16.3
|
0.3
|
|
CA
|
A:GLU7
|
4.2
|
8.7
|
0.7
|
|
CA
|
A:GLU7
|
4.2
|
9.3
|
0.3
|
|
HG2
|
A:GLU7
|
4.3
|
16.5
|
0.3
|
|
HB3
|
A:CYS6
|
4.3
|
12.8
|
1.0
|
|
O
|
A:HOH504
|
4.3
|
43.6
|
1.0
|
|
N
|
A:GLY4
|
4.4
|
10.0
|
1.0
|
|
HG2
|
A:ARG5
|
4.4
|
13.6
|
1.0
|
|
CA
|
A:ARG5
|
4.5
|
9.8
|
1.0
|
|
SG
|
A:CYS6
|
4.6
|
11.8
|
1.0
|
|
OE1
|
A:GLU7
|
4.7
|
17.7
|
0.3
|
|
HA
|
A:CYS6
|
4.7
|
10.7
|
1.0
|
|
HA
|
A:GLU7
|
4.7
|
11.2
|
0.3
|
|
HA
|
A:GLU7
|
4.7
|
10.5
|
0.7
|
|
OE2
|
A:GLU7
|
4.7
|
17.7
|
0.3
|
|
HG3
|
A:ARG5
|
4.8
|
13.6
|
1.0
|
|
H
|
A:LEU8
|
4.8
|
9.7
|
1.0
|
|
CG
|
A:ARG5
|
5.0
|
11.3
|
1.0
|
|
HB3
|
A:GLU7
|
5.0
|
13.6
|
0.3
|
|
Reference:
B.D.Belviso,
F.M.Perna,
B.Carrozzini,
M.Trotta,
V.Capriati,
R.Caliandro.
Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents Acs Sustain Chem Eng V. 9 8435 2021.
ISSN: ESSN 2168-0485
DOI: 10.1021/ACSSUSCHEMENG.1C01230
Page generated: Mon Jul 29 19:04:23 2024
|
