Chlorine in PDB 3dn1: Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
Enzymatic activity of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
All present enzymatic activity of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant:
3.2.1.17;
Protein crystallography data
The structure of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant, PDB code: 3dn1
was solved by
L.Liu,
B.W.Matthews,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.55 /
1.80
|
|
Space group
|
P 32 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.864,
59.864,
95.501,
90.00,
90.00,
120.00
|
|
R / Rfree (%)
|
19 /
22
|
Other elements in 3dn1:
The structure of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
(pdb code 3dn1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant, PDB code: 3dn1:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 1 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl903
b:60.5
occ:1.00
|
O
|
A:HOH1088
|
3.1
|
29.1
|
1.0
|
|
CE
|
A:LYS43
|
3.8
|
14.3
|
0.6
|
|
CA
|
A:GLY56
|
4.1
|
18.3
|
1.0
|
|
CB
|
A:ILE17
|
4.2
|
13.8
|
1.0
|
|
CD1
|
A:ILE17
|
4.4
|
14.5
|
1.0
|
|
O
|
A:GLY56
|
4.4
|
16.6
|
1.0
|
|
NZ
|
A:LYS43
|
4.5
|
16.1
|
0.6
|
|
CD1
|
A:LEU39
|
4.5
|
19.2
|
1.0
|
|
C
|
A:GLY56
|
4.6
|
17.4
|
1.0
|
|
CG1
|
A:ILE17
|
4.6
|
13.7
|
1.0
|
|
CD2
|
A:LEU39
|
4.7
|
19.0
|
1.0
|
|
O
|
A:ASN55
|
4.7
|
21.1
|
1.0
|
|
N
|
A:ILE17
|
4.8
|
14.3
|
1.0
|
|
O
|
A:ILE17
|
5.0
|
14.1
|
1.0
|
|
N
|
A:GLY56
|
5.0
|
19.5
|
1.0
|
|
CG2
|
A:ILE17
|
5.0
|
12.7
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 2 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:14.7
occ:0.15
|
CL1
|
A:BCF900
|
0.0
|
14.7
|
0.1
|
|
F5
|
A:BCF900
|
0.6
|
42.9
|
0.1
|
|
F4
|
A:BCF900
|
0.7
|
8.1
|
0.1
|
|
F3
|
A:BCF900
|
0.8
|
50.7
|
0.1
|
|
F2
|
A:BCF900
|
0.8
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
0.9
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
1.5
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
1.6
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
1.7
|
50.6
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
14.7
|
0.1
|
|
C2
|
A:BCF900
|
1.9
|
40.6
|
0.1
|
|
C6
|
A:BCF900
|
1.9
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
2.4
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
2.5
|
8.0
|
0.1
|
|
C6
|
A:BCF900
|
2.5
|
42.9
|
0.1
|
|
C4
|
A:BCF900
|
2.6
|
42.9
|
0.1
|
|
C2
|
A:BCF900
|
2.6
|
50.6
|
0.1
|
|
C1
|
A:BCF900
|
2.6
|
40.6
|
0.1
|
|
C4
|
A:BCF900
|
2.7
|
50.6
|
0.1
|
|
F3
|
A:BCF900
|
2.7
|
8.0
|
0.1
|
|
C6
|
A:BCF900
|
2.7
|
14.8
|
0.1
|
|
CL1
|
A:BCF900
|
2.8
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
14.8
|
0.1
|
|
F6
|
A:BCF900
|
2.8
|
42.8
|
0.1
|
|
C1
|
A:BCF900
|
2.8
|
57.5
|
0.1
|
|
F5
|
A:BCF900
|
2.9
|
7.8
|
0.1
|
|
F4
|
A:BCF900
|
2.9
|
42.9
|
0.1
|
|
F2
|
A:BCF900
|
2.9
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
2.9
|
57.5
|
0.1
|
|
F6
|
A:BCF900
|
2.9
|
14.8
|
0.1
|
|
CG2
|
A:VAL111
|
2.9
|
31.1
|
1.0
|
|
F4
|
A:BCF900
|
3.0
|
50.6
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
14.8
|
0.1
|
|
C3
|
A:BCF900
|
3.1
|
40.6
|
0.1
|
|
F5
|
A:BCF900
|
3.1
|
57.5
|
0.1
|
|
CL1
|
A:BCF900
|
3.2
|
57.5
|
0.1
|
|
F3
|
A:BCF900
|
3.4
|
40.6
|
0.1
|
|
SD
|
A:MET102
|
3.5
|
14.6
|
1.0
|
|
CE
|
A:MET102
|
3.6
|
14.7
|
1.0
|
|
C2
|
A:BCF900
|
3.6
|
7.9
|
0.1
|
|
C6
|
A:BCF900
|
3.7
|
8.0
|
0.1
|
|
C1
|
A:BCF900
|
3.8
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
3.8
|
42.8
|
0.1
|
|
C1
|
A:BCF900
|
3.9
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
3.9
|
50.6
|
0.1
|
|
CB
|
A:PHE114
|
4.0
|
21.0
|
1.0
|
|
C6
|
A:BCF900
|
4.0
|
40.6
|
0.1
|
|
C5
|
A:BCF900
|
4.0
|
14.7
|
0.1
|
|
C3
|
A:BCF900
|
4.1
|
14.8
|
0.1
|
|
C2
|
A:BCF900
|
4.1
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
4.1
|
8.0
|
0.1
|
|
CG
|
A:PHE114
|
4.1
|
20.3
|
1.0
|
|
C4
|
A:BCF900
|
4.2
|
57.4
|
0.1
|
|
C4
|
A:BCF900
|
4.3
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
4.3
|
42.9
|
0.1
|
|
CB
|
A:VAL111
|
4.3
|
30.6
|
1.0
|
|
C6
|
A:BCF900
|
4.4
|
50.6
|
0.1
|
|
CD2
|
A:LEU118
|
4.4
|
18.1
|
1.0
|
|
CB
|
A:MET102
|
4.4
|
11.7
|
1.0
|
|
CD1
|
A:PHE114
|
4.5
|
20.7
|
1.0
|
|
C4
|
A:BCF900
|
4.6
|
14.7
|
0.1
|
|
C5
|
A:BCF900
|
4.6
|
40.6
|
0.1
|
|
CD2
|
A:PHE114
|
4.6
|
18.6
|
1.0
|
|
C3
|
A:BCF900
|
4.6
|
57.5
|
0.1
|
|
CG1
|
A:VAL111
|
4.6
|
31.3
|
1.0
|
|
F2
|
A:BCF900
|
4.7
|
7.9
|
0.1
|
|
CG
|
A:MET102
|
4.7
|
12.6
|
1.0
|
|
CG
|
A:LEU118
|
4.8
|
16.6
|
1.0
|
|
F6
|
A:BCF900
|
4.8
|
8.0
|
0.1
|
|
F3
|
A:BCF900
|
4.9
|
42.8
|
0.1
|
|
F6
|
A:BCF900
|
4.9
|
40.6
|
0.1
|
|
O
|
A:VAL111
|
5.0
|
30.0
|
1.0
|
|
F5
|
A:BCF900
|
5.0
|
50.6
|
0.1
|
|
Chlorine binding site 3 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 3 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:57.5
occ:0.13
|
CL1
|
A:BCF900
|
0.0
|
57.5
|
0.1
|
|
F2
|
A:BCF900
|
0.4
|
14.8
|
0.1
|
|
F4
|
A:BCF900
|
0.4
|
50.6
|
0.1
|
|
F3
|
A:BCF900
|
0.4
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
0.5
|
42.8
|
0.1
|
|
F5
|
A:BCF900
|
0.6
|
7.8
|
0.1
|
|
C4
|
A:BCF900
|
1.3
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
1.4
|
8.0
|
0.1
|
|
C3
|
A:BCF900
|
1.5
|
40.6
|
0.1
|
|
C6
|
A:BCF900
|
1.6
|
42.9
|
0.1
|
|
C2
|
A:BCF900
|
1.6
|
14.8
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
57.5
|
0.1
|
|
C6
|
A:BCF900
|
2.1
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
2.1
|
50.6
|
0.1
|
|
C2
|
A:BCF900
|
2.3
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
2.3
|
8.0
|
0.1
|
|
C1
|
A:BCF900
|
2.4
|
42.9
|
0.1
|
|
F5
|
A:BCF900
|
2.4
|
50.6
|
0.1
|
|
C3
|
A:BCF900
|
2.5
|
50.6
|
0.1
|
|
F2
|
A:BCF900
|
2.5
|
40.6
|
0.1
|
|
C4
|
A:BCF900
|
2.6
|
8.0
|
0.1
|
|
C3
|
A:BCF900
|
2.6
|
14.8
|
0.1
|
|
C1
|
A:BCF900
|
2.6
|
14.7
|
0.1
|
|
C4
|
A:BCF900
|
2.7
|
40.6
|
0.1
|
|
C5
|
A:BCF900
|
2.7
|
42.9
|
0.1
|
|
C6
|
A:BCF900
|
2.7
|
57.5
|
0.1
|
|
CL1
|
A:BCF900
|
2.7
|
42.8
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
57.5
|
0.1
|
|
F3
|
A:BCF900
|
2.9
|
14.7
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
57.5
|
0.1
|
|
F3
|
A:BCF900
|
3.0
|
50.7
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
57.5
|
0.1
|
|
F4
|
A:BCF900
|
3.1
|
8.1
|
0.1
|
|
F4
|
A:BCF900
|
3.1
|
40.6
|
0.1
|
|
F5
|
A:BCF900
|
3.1
|
42.9
|
0.1
|
|
CL1
|
A:BCF900
|
3.2
|
14.7
|
0.1
|
|
CG2
|
A:VAL103
|
3.3
|
13.1
|
1.0
|
|
C1
|
A:BCF900
|
3.4
|
8.0
|
0.1
|
|
C6
|
A:BCF900
|
3.4
|
50.6
|
0.1
|
|
CG1
|
A:VAL111
|
3.5
|
31.3
|
1.0
|
|
CD2
|
A:LEU84
|
3.5
|
20.7
|
1.0
|
|
CG2
|
A:VAL111
|
3.6
|
31.1
|
1.0
|
|
C1
|
A:BCF900
|
3.6
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
3.6
|
50.6
|
0.1
|
|
CD1
|
A:LEU84
|
3.7
|
20.0
|
1.0
|
|
C2
|
A:BCF900
|
3.7
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
3.7
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
3.9
|
40.6
|
0.1
|
|
C4
|
A:BCF900
|
3.9
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
3.9
|
14.8
|
0.1
|
|
C4
|
A:BCF900
|
3.9
|
42.9
|
0.1
|
|
C1
|
A:BCF900
|
4.0
|
50.6
|
0.1
|
|
CB
|
A:VAL111
|
4.0
|
30.6
|
1.0
|
|
C5
|
A:BCF900
|
4.0
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
4.1
|
57.5
|
0.1
|
|
C2
|
A:BCF900
|
4.1
|
7.9
|
0.1
|
|
CG
|
A:LEU84
|
4.1
|
19.4
|
1.0
|
|
C6
|
A:BCF900
|
4.2
|
40.6
|
0.1
|
|
C3
|
A:BCF900
|
4.3
|
42.8
|
0.1
|
|
C5
|
A:BCF900
|
4.4
|
14.7
|
0.1
|
|
F6
|
A:BCF900
|
4.5
|
50.6
|
0.1
|
|
O
|
A:ALA99
|
4.5
|
10.6
|
1.0
|
|
C4
|
A:BCF900
|
4.6
|
57.4
|
0.1
|
|
F2
|
A:BCF900
|
4.7
|
42.8
|
0.1
|
|
CB
|
A:VAL103
|
4.7
|
12.6
|
1.0
|
|
F2
|
A:BCF900
|
4.8
|
50.6
|
0.1
|
|
CL1
|
A:BCF900
|
4.8
|
7.8
|
0.1
|
|
CB
|
A:LEU84
|
4.8
|
18.8
|
1.0
|
|
F3
|
A:BCF900
|
4.9
|
8.0
|
0.1
|
|
N
|
A:VAL103
|
4.9
|
12.3
|
1.0
|
|
CD2
|
A:LEU118
|
5.0
|
18.1
|
1.0
|
|
F4
|
A:BCF900
|
5.0
|
14.8
|
0.1
|
|
F6
|
A:BCF900
|
5.0
|
14.8
|
0.1
|
|
CL1
|
A:BCF900
|
5.0
|
40.6
|
0.1
|
|
Chlorine binding site 4 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 4 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:42.8
occ:0.13
|
CL1
|
A:BCF900
|
0.0
|
42.8
|
0.1
|
|
F3
|
A:BCF900
|
0.4
|
14.7
|
0.1
|
|
F5
|
A:BCF900
|
0.4
|
50.6
|
0.1
|
|
F6
|
A:BCF900
|
0.4
|
8.0
|
0.1
|
|
F4
|
A:BCF900
|
0.6
|
40.6
|
0.1
|
|
F2
|
A:BCF900
|
0.7
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
1.4
|
40.6
|
0.1
|
|
C5
|
A:BCF900
|
1.5
|
50.6
|
0.1
|
|
C3
|
A:BCF900
|
1.6
|
14.8
|
0.1
|
|
C6
|
A:BCF900
|
1.7
|
8.0
|
0.1
|
|
C2
|
A:BCF900
|
1.8
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
2.2
|
40.6
|
0.1
|
|
C6
|
A:BCF900
|
2.3
|
50.6
|
0.1
|
|
F3
|
A:BCF900
|
2.4
|
40.6
|
0.1
|
|
C1
|
A:BCF900
|
2.5
|
57.5
|
0.1
|
|
C2
|
A:BCF900
|
2.5
|
14.8
|
0.1
|
|
F6
|
A:BCF900
|
2.5
|
50.6
|
0.1
|
|
C1
|
A:BCF900
|
2.5
|
8.0
|
0.1
|
|
C4
|
A:BCF900
|
2.6
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
2.6
|
40.6
|
0.1
|
|
F2
|
A:BCF900
|
2.7
|
14.8
|
0.1
|
|
C4
|
A:BCF900
|
2.7
|
14.7
|
0.1
|
|
CL1
|
A:BCF900
|
2.7
|
57.5
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
42.9
|
0.1
|
|
C6
|
A:BCF900
|
2.8
|
42.9
|
0.1
|
|
C5
|
A:BCF900
|
2.8
|
8.0
|
0.1
|
|
CL1
|
A:BCF900
|
2.9
|
7.8
|
0.1
|
|
C3
|
A:BCF900
|
2.9
|
57.5
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
42.8
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
42.8
|
0.1
|
|
F4
|
A:BCF900
|
3.1
|
50.6
|
0.1
|
|
F4
|
A:BCF900
|
3.1
|
14.8
|
0.1
|
|
F5
|
A:BCF900
|
3.1
|
40.6
|
0.1
|
|
F5
|
A:BCF900
|
3.2
|
7.8
|
0.1
|
|
F3
|
A:BCF900
|
3.3
|
57.4
|
0.1
|
|
CG1
|
A:ILE78
|
3.5
|
16.9
|
1.0
|
|
C2
|
A:BCF900
|
3.5
|
40.6
|
0.1
|
|
CB
|
A:LEU84
|
3.6
|
18.8
|
1.0
|
|
C1
|
A:BCF900
|
3.6
|
50.6
|
0.1
|
|
CD1
|
A:LEU84
|
3.6
|
20.0
|
1.0
|
|
CG2
|
A:ILE78
|
3.7
|
16.1
|
1.0
|
|
CD1
|
A:ILE78
|
3.7
|
16.8
|
1.0
|
|
CD2
|
A:LEU84
|
3.8
|
20.7
|
1.0
|
|
C6
|
A:BCF900
|
3.8
|
40.6
|
0.1
|
|
C1
|
A:BCF900
|
3.8
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
3.8
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
3.8
|
50.6
|
0.1
|
|
CG
|
A:LEU84
|
3.8
|
19.4
|
1.0
|
|
C2
|
A:BCF900
|
3.9
|
7.9
|
0.1
|
|
CG2
|
A:VAL103
|
3.9
|
13.1
|
1.0
|
|
C5
|
A:BCF900
|
4.0
|
14.7
|
0.1
|
|
C4
|
A:BCF900
|
4.0
|
8.0
|
0.1
|
|
C3
|
A:BCF900
|
4.0
|
42.8
|
0.1
|
|
C5
|
A:BCF900
|
4.1
|
42.9
|
0.1
|
|
C4
|
A:BCF900
|
4.1
|
57.4
|
0.1
|
|
C1
|
A:BCF900
|
4.1
|
40.6
|
0.1
|
|
CB
|
A:ILE78
|
4.2
|
16.8
|
1.0
|
|
C2
|
A:BCF900
|
4.2
|
50.6
|
0.1
|
|
CB
|
A:ALA99
|
4.2
|
11.0
|
1.0
|
|
C6
|
A:BCF900
|
4.4
|
14.8
|
0.1
|
|
C5
|
A:BCF900
|
4.4
|
57.5
|
0.1
|
|
CA
|
A:LEU84
|
4.5
|
18.5
|
1.0
|
|
C3
|
A:BCF900
|
4.5
|
8.0
|
0.1
|
|
O
|
A:LEU84
|
4.5
|
16.8
|
1.0
|
|
F2
|
A:BCF900
|
4.5
|
40.6
|
0.1
|
|
O
|
A:ALA99
|
4.5
|
10.6
|
1.0
|
|
C4
|
A:BCF900
|
4.6
|
42.9
|
0.1
|
|
C
|
A:LEU84
|
4.8
|
17.6
|
1.0
|
|
F6
|
A:BCF900
|
4.8
|
57.5
|
0.1
|
|
C
|
A:ALA99
|
4.9
|
10.5
|
1.0
|
|
CA
|
A:ALA99
|
4.9
|
10.7
|
1.0
|
|
F2
|
A:BCF900
|
4.9
|
7.9
|
0.1
|
|
CB
|
A:TYR88
|
4.9
|
14.7
|
1.0
|
|
F3
|
A:BCF900
|
5.0
|
50.7
|
0.1
|
|
F6
|
A:BCF900
|
5.0
|
40.6
|
0.1
|
|
CA
|
A:ILE78
|
5.0
|
16.9
|
1.0
|
|
CD1
|
A:TYR88
|
5.0
|
15.5
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 5 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:7.8
occ:0.13
|
CL1
|
A:BCF900
|
0.0
|
7.8
|
0.1
|
|
F5
|
A:BCF900
|
0.3
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
0.4
|
50.6
|
0.1
|
|
F4
|
A:BCF900
|
0.5
|
14.8
|
0.1
|
|
F3
|
A:BCF900
|
0.5
|
57.4
|
0.1
|
|
F2
|
A:BCF900
|
0.5
|
42.8
|
0.1
|
|
C5
|
A:BCF900
|
1.3
|
40.6
|
0.1
|
|
C3
|
A:BCF900
|
1.3
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
1.4
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
1.6
|
50.6
|
0.1
|
|
C2
|
A:BCF900
|
1.7
|
42.9
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
8.0
|
0.1
|
|
C2
|
A:BCF900
|
2.1
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
2.2
|
40.6
|
0.1
|
|
C3
|
A:BCF900
|
2.2
|
14.8
|
0.1
|
|
F2
|
A:BCF900
|
2.3
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
2.4
|
50.6
|
0.1
|
|
C6
|
A:BCF900
|
2.5
|
40.6
|
0.1
|
|
F4
|
A:BCF900
|
2.5
|
40.6
|
0.1
|
|
F3
|
A:BCF900
|
2.5
|
14.7
|
0.1
|
|
C5
|
A:BCF900
|
2.5
|
14.7
|
0.1
|
|
C1
|
A:BCF900
|
2.5
|
42.9
|
0.1
|
|
C4
|
A:BCF900
|
2.6
|
57.4
|
0.1
|
|
C5
|
A:BCF900
|
2.7
|
50.6
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
7.9
|
0.1
|
|
C6
|
A:BCF900
|
2.8
|
8.0
|
0.1
|
|
C3
|
A:BCF900
|
2.8
|
42.8
|
0.1
|
|
CL1
|
A:BCF900
|
2.8
|
50.6
|
0.1
|
|
CL1
|
A:BCF900
|
2.9
|
42.8
|
0.1
|
|
F6
|
A:BCF900
|
2.9
|
40.6
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
7.9
|
0.1
|
|
F5
|
A:BCF900
|
3.0
|
14.7
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
8.0
|
0.1
|
|
F4
|
A:BCF900
|
3.1
|
57.5
|
0.1
|
|
F3
|
A:BCF900
|
3.1
|
42.8
|
0.1
|
|
F5
|
A:BCF900
|
3.1
|
50.6
|
0.1
|
|
N
|
A:TYR88
|
3.4
|
14.4
|
1.0
|
|
C1
|
A:BCF900
|
3.4
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
3.5
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
3.5
|
14.8
|
0.1
|
|
CA
|
A:TYR88
|
3.6
|
14.4
|
1.0
|
|
CB
|
A:ALA99
|
3.6
|
11.0
|
1.0
|
|
C1
|
A:BCF900
|
3.7
|
40.6
|
0.1
|
|
C6
|
A:BCF900
|
3.7
|
14.8
|
0.1
|
|
CB
|
A:TYR88
|
3.7
|
14.7
|
1.0
|
|
C5
|
A:BCF900
|
3.7
|
57.5
|
0.1
|
|
C2
|
A:BCF900
|
3.8
|
50.6
|
0.1
|
|
O
|
A:LEU84
|
3.8
|
16.8
|
1.0
|
|
C6
|
A:BCF900
|
3.9
|
42.9
|
0.1
|
|
C4
|
A:BCF900
|
3.9
|
50.6
|
0.1
|
|
CB
|
A:VAL87
|
4.0
|
15.4
|
1.0
|
|
C
|
A:VAL87
|
4.0
|
14.9
|
1.0
|
|
CG1
|
A:VAL87
|
4.0
|
15.2
|
1.0
|
|
C4
|
A:BCF900
|
4.0
|
42.9
|
0.1
|
|
C2
|
A:BCF900
|
4.0
|
40.6
|
0.1
|
|
C3
|
A:BCF900
|
4.1
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
4.1
|
8.0
|
0.1
|
|
C6
|
A:BCF900
|
4.1
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
4.1
|
14.7
|
0.1
|
|
CD1
|
A:LEU91
|
4.3
|
12.9
|
1.0
|
|
CD1
|
A:TYR88
|
4.3
|
15.5
|
1.0
|
|
CD2
|
A:LEU118
|
4.3
|
18.1
|
1.0
|
|
C3
|
A:BCF900
|
4.4
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
4.4
|
42.9
|
0.1
|
|
F3
|
A:BCF900
|
4.5
|
40.6
|
0.1
|
|
CG
|
A:TYR88
|
4.5
|
14.6
|
1.0
|
|
C4
|
A:BCF900
|
4.6
|
8.0
|
0.1
|
|
CA
|
A:VAL87
|
4.6
|
14.9
|
1.0
|
|
F2
|
A:BCF900
|
4.6
|
14.8
|
0.1
|
|
O
|
A:VAL87
|
4.6
|
14.0
|
1.0
|
|
C
|
A:LEU84
|
4.8
|
17.6
|
1.0
|
|
F2
|
A:BCF900
|
4.8
|
50.6
|
0.1
|
|
CA
|
A:ALA99
|
4.8
|
10.7
|
1.0
|
|
CL1
|
A:BCF900
|
4.8
|
57.5
|
0.1
|
|
CG2
|
A:ILE78
|
4.8
|
16.1
|
1.0
|
|
F6
|
A:BCF900
|
4.9
|
14.8
|
0.1
|
|
F6
|
A:BCF900
|
4.9
|
42.8
|
0.1
|
|
F5
|
A:BCF900
|
4.9
|
57.5
|
0.1
|
|
CB
|
A:LEU84
|
5.0
|
18.8
|
1.0
|
|
CA
|
A:LEU84
|
5.0
|
18.5
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 6 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:50.6
occ:0.13
|
CL1
|
A:BCF900
|
0.0
|
50.6
|
0.1
|
|
F5
|
A:BCF900
|
0.3
|
14.7
|
0.1
|
|
F4
|
A:BCF900
|
0.3
|
57.5
|
0.1
|
|
F6
|
A:BCF900
|
0.4
|
40.6
|
0.1
|
|
F3
|
A:BCF900
|
0.5
|
42.8
|
0.1
|
|
F2
|
A:BCF900
|
0.7
|
7.9
|
0.1
|
|
C4
|
A:BCF900
|
1.3
|
57.4
|
0.1
|
|
C5
|
A:BCF900
|
1.4
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
1.6
|
40.6
|
0.1
|
|
C3
|
A:BCF900
|
1.6
|
42.8
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
50.6
|
0.1
|
|
C2
|
A:BCF900
|
1.8
|
7.9
|
0.1
|
|
C3
|
A:BCF900
|
2.1
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
2.3
|
14.7
|
0.1
|
|
C2
|
A:BCF900
|
2.3
|
42.9
|
0.1
|
|
C5
|
A:BCF900
|
2.4
|
40.6
|
0.1
|
|
F2
|
A:BCF900
|
2.4
|
42.8
|
0.1
|
|
F3
|
A:BCF900
|
2.4
|
57.4
|
0.1
|
|
C5
|
A:BCF900
|
2.4
|
57.5
|
0.1
|
|
F4
|
A:BCF900
|
2.5
|
14.8
|
0.1
|
|
C6
|
A:BCF900
|
2.6
|
14.8
|
0.1
|
|
F5
|
A:BCF900
|
2.6
|
40.6
|
0.1
|
|
C1
|
A:BCF900
|
2.6
|
8.0
|
0.1
|
|
C1
|
A:BCF900
|
2.7
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
50.6
|
0.1
|
|
C6
|
A:BCF900
|
2.8
|
50.6
|
0.1
|
|
C4
|
A:BCF900
|
2.8
|
42.9
|
0.1
|
|
CL1
|
A:BCF900
|
2.8
|
7.8
|
0.1
|
|
F5
|
A:BCF900
|
2.9
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
3.0
|
8.0
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
50.6
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
50.6
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
14.8
|
0.1
|
|
F4
|
A:BCF900
|
3.3
|
42.9
|
0.1
|
|
F3
|
A:BCF900
|
3.3
|
8.0
|
0.1
|
|
CL1
|
A:BCF900
|
3.4
|
40.6
|
0.1
|
|
C2
|
A:BCF900
|
3.4
|
57.5
|
0.1
|
|
CD1
|
A:LEU91
|
3.5
|
12.9
|
1.0
|
|
CD1
|
A:LEU121
|
3.5
|
16.6
|
1.0
|
|
CE1
|
A:PHE153
|
3.6
|
13.2
|
1.0
|
|
C3
|
A:BCF900
|
3.6
|
14.8
|
0.1
|
|
CG1
|
A:VAL87
|
3.6
|
15.2
|
1.0
|
|
C6
|
A:BCF900
|
3.6
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
3.7
|
42.9
|
0.1
|
|
C4
|
A:BCF900
|
3.7
|
40.6
|
0.1
|
|
CZ
|
A:PHE153
|
3.8
|
12.9
|
1.0
|
|
C1
|
A:BCF900
|
3.8
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
3.9
|
8.0
|
0.1
|
|
C2
|
A:BCF900
|
3.9
|
40.6
|
0.1
|
|
C5
|
A:BCF900
|
4.0
|
42.9
|
0.1
|
|
CB
|
A:ALA99
|
4.0
|
11.0
|
1.0
|
|
C1
|
A:BCF900
|
4.0
|
57.5
|
0.1
|
|
C3
|
A:BCF900
|
4.1
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
4.1
|
50.6
|
0.1
|
|
C4
|
A:BCF900
|
4.2
|
8.0
|
0.1
|
|
C2
|
A:BCF900
|
4.2
|
14.8
|
0.1
|
|
CD2
|
A:LEU118
|
4.2
|
18.1
|
1.0
|
|
C6
|
A:BCF900
|
4.3
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
4.3
|
40.6
|
0.1
|
|
CB
|
A:LEU121
|
4.5
|
14.2
|
1.0
|
|
F2
|
A:BCF900
|
4.5
|
57.5
|
0.1
|
|
C5
|
A:BCF900
|
4.5
|
8.0
|
0.1
|
|
CG
|
A:LEU91
|
4.6
|
12.2
|
1.0
|
|
C4
|
A:BCF900
|
4.6
|
50.6
|
0.1
|
|
CB
|
A:VAL87
|
4.6
|
15.4
|
1.0
|
|
CG
|
A:LEU121
|
4.6
|
13.8
|
1.0
|
|
CD1
|
A:PHE153
|
4.6
|
12.5
|
1.0
|
|
F3
|
A:BCF900
|
4.6
|
14.7
|
0.1
|
|
CA
|
A:ALA99
|
4.7
|
10.7
|
1.0
|
|
F4
|
A:BCF900
|
4.8
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
4.8
|
57.5
|
0.1
|
|
CD2
|
A:LEU91
|
4.9
|
12.3
|
1.0
|
|
F6
|
A:BCF900
|
4.9
|
8.0
|
0.1
|
|
CE2
|
A:PHE153
|
4.9
|
13.4
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 3dn1
Go back to
Chlorine Binding Sites List in 3dn1
Chlorine binding site 7 out
of 7 in the Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Chloropentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl900
b:40.6
occ:0.11
|
CL1
|
A:BCF900
|
0.0
|
40.6
|
0.1
|
|
F3
|
A:BCF900
|
0.2
|
8.0
|
0.1
|
|
F4
|
A:BCF900
|
0.2
|
42.9
|
0.1
|
|
F5
|
A:BCF900
|
0.5
|
57.5
|
0.1
|
|
F2
|
A:BCF900
|
0.5
|
50.6
|
0.1
|
|
F6
|
A:BCF900
|
0.5
|
14.8
|
0.1
|
|
C4
|
A:BCF900
|
1.4
|
42.9
|
0.1
|
|
C3
|
A:BCF900
|
1.5
|
8.0
|
0.1
|
|
C5
|
A:BCF900
|
1.6
|
57.5
|
0.1
|
|
C6
|
A:BCF900
|
1.6
|
14.8
|
0.1
|
|
C2
|
A:BCF900
|
1.7
|
50.6
|
0.1
|
|
C1
|
A:BCF900
|
1.8
|
40.6
|
0.1
|
|
C5
|
A:BCF900
|
2.3
|
42.9
|
0.1
|
|
C6
|
A:BCF900
|
2.3
|
57.5
|
0.1
|
|
C1
|
A:BCF900
|
2.4
|
14.7
|
0.1
|
|
F6
|
A:BCF900
|
2.5
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
2.5
|
8.0
|
0.1
|
|
C3
|
A:BCF900
|
2.5
|
42.8
|
0.1
|
|
C2
|
A:BCF900
|
2.5
|
7.9
|
0.1
|
|
C3
|
A:BCF900
|
2.6
|
50.6
|
0.1
|
|
F5
|
A:BCF900
|
2.6
|
42.9
|
0.1
|
|
F3
|
A:BCF900
|
2.7
|
50.7
|
0.1
|
|
C4
|
A:BCF900
|
2.7
|
57.4
|
0.1
|
|
C5
|
A:BCF900
|
2.7
|
14.7
|
0.1
|
|
C2
|
A:BCF900
|
2.8
|
40.6
|
0.1
|
|
CL1
|
A:BCF900
|
2.8
|
14.7
|
0.1
|
|
C6
|
A:BCF900
|
2.8
|
40.6
|
0.1
|
|
F4
|
A:BCF900
|
2.8
|
8.1
|
0.1
|
|
F2
|
A:BCF900
|
2.8
|
7.9
|
0.1
|
|
C1
|
A:BCF900
|
2.8
|
50.6
|
0.1
|
|
F3
|
A:BCF900
|
2.9
|
42.8
|
0.1
|
|
F2
|
A:BCF900
|
3.0
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
3.0
|
40.6
|
0.1
|
|
F5
|
A:BCF900
|
3.1
|
14.7
|
0.1
|
|
F4
|
A:BCF900
|
3.2
|
57.5
|
0.1
|
|
CL1
|
A:BCF900
|
3.4
|
50.6
|
0.1
|
|
SD
|
A:MET102
|
3.4
|
14.6
|
1.0
|
|
CD1
|
A:LEU121
|
3.4
|
16.6
|
1.0
|
|
CZ
|
A:PHE153
|
3.6
|
12.9
|
1.0
|
|
C6
|
A:BCF900
|
3.6
|
42.9
|
0.1
|
|
C1
|
A:BCF900
|
3.6
|
57.5
|
0.1
|
|
C2
|
A:BCF900
|
3.7
|
42.9
|
0.1
|
|
C5
|
A:BCF900
|
3.7
|
8.0
|
0.1
|
|
C1
|
A:BCF900
|
3.7
|
8.0
|
0.1
|
|
C2
|
A:BCF900
|
3.7
|
14.8
|
0.1
|
|
CE2
|
A:PHE153
|
3.8
|
13.4
|
1.0
|
|
C4
|
A:BCF900
|
3.9
|
50.6
|
0.1
|
|
C3
|
A:BCF900
|
3.9
|
57.5
|
0.1
|
|
C4
|
A:BCF900
|
3.9
|
14.7
|
0.1
|
|
CD2
|
A:LEU133
|
4.0
|
11.7
|
1.0
|
|
C3
|
A:BCF900
|
4.0
|
40.6
|
0.1
|
|
C6
|
A:BCF900
|
4.1
|
50.6
|
0.1
|
|
C5
|
A:BCF900
|
4.1
|
40.6
|
0.1
|
|
C1
|
A:BCF900
|
4.1
|
42.9
|
0.1
|
|
C6
|
A:BCF900
|
4.2
|
8.0
|
0.1
|
|
CD2
|
A:LEU118
|
4.3
|
18.1
|
1.0
|
|
C2
|
A:BCF900
|
4.3
|
57.5
|
0.1
|
|
CE
|
A:MET102
|
4.3
|
14.7
|
1.0
|
|
C3
|
A:BCF900
|
4.3
|
14.8
|
0.1
|
|
CE1
|
A:PHE153
|
4.4
|
13.2
|
1.0
|
|
C5
|
A:BCF900
|
4.5
|
50.6
|
0.1
|
|
C4
|
A:BCF900
|
4.6
|
40.6
|
0.1
|
|
F6
|
A:BCF900
|
4.6
|
42.8
|
0.1
|
|
CD2
|
A:PHE153
|
4.7
|
12.5
|
1.0
|
|
F2
|
A:BCF900
|
4.8
|
14.8
|
0.1
|
|
F5
|
A:BCF900
|
4.8
|
7.8
|
0.1
|
|
F2
|
A:BCF900
|
4.8
|
42.8
|
0.1
|
|
CG
|
A:LEU121
|
4.9
|
13.8
|
1.0
|
|
F4
|
A:BCF900
|
4.9
|
50.6
|
0.1
|
|
CG
|
A:MET102
|
4.9
|
12.6
|
1.0
|
|
CG
|
A:LEU118
|
4.9
|
16.6
|
1.0
|
|
CL1
|
A:BCF900
|
5.0
|
57.5
|
0.1
|
|
Reference:
L.Liu,
W.A.Baase,
B.W.Matthews.
Halogenated Benzenes Bound Within A Non-Polar Cavity in T4 Lysozyme Provide Examples of I...S and I...Se Halogen-Bonding. J.Mol.Biol. V. 385 595 2009.
ISSN: ISSN 0022-2836
PubMed: 19014950
DOI: 10.1016/J.JMB.2008.10.086
Page generated: Sat Jul 20 18:23:20 2024
|
