Chlorine in PDB 4q8b: The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
Protein crystallography data
The structure of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid, PDB code: 4q8b
was solved by
T.Xie,
Z.C.Liu,
G.G.Wang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.81 /
1.91
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.278,
116.612,
81.099,
90.00,
99.32,
90.00
|
R / Rfree (%)
|
13.9 /
18.6
|
Other elements in 4q8b:
The structure of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
(pdb code 4q8b). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
The Crystal Structure of Cota Laccase Complexed with Sinapic Acid, PDB code: 4q8b:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 4q8b
Go back to
Chlorine Binding Sites List in 4q8b
Chlorine binding site 1 out
of 5 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_01.jpg) Mono view
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl606
b:50.1
occ:1.00
|
CA
|
A:GLY404
|
3.7
|
26.1
|
1.0
|
CA
|
A:GLY482
|
3.7
|
24.1
|
1.0
|
CA
|
A:PRO483
|
3.9
|
25.6
|
1.0
|
CG2
|
A:THR480
|
4.1
|
29.2
|
1.0
|
N
|
A:GLY404
|
4.1
|
23.7
|
1.0
|
C
|
A:GLY482
|
4.2
|
23.9
|
1.0
|
N
|
A:GLY482
|
4.3
|
24.2
|
1.0
|
N
|
A:PRO483
|
4.3
|
24.9
|
1.0
|
O
|
A:PHE481
|
4.3
|
24.9
|
1.0
|
C
|
A:PHE481
|
4.5
|
22.9
|
1.0
|
C
|
A:GLY404
|
4.6
|
26.7
|
1.0
|
CB
|
A:PRO483
|
4.7
|
27.2
|
1.0
|
C
|
A:PRO483
|
4.8
|
27.3
|
1.0
|
O
|
A:GLY404
|
4.8
|
31.2
|
1.0
|
O
|
A:PRO483
|
4.9
|
27.1
|
1.0
|
O
|
A:GLY482
|
5.0
|
23.7
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 4q8b
Go back to
Chlorine Binding Sites List in 4q8b
Chlorine binding site 2 out
of 5 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_02.jpg) Mono view
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl607
b:28.0
occ:1.00
|
O
|
A:HOH1043
|
3.1
|
30.7
|
1.0
|
O
|
A:HOH1155
|
3.2
|
34.6
|
1.0
|
O
|
A:HOH970
|
3.2
|
40.1
|
1.0
|
NH2
|
A:ARG248
|
3.2
|
22.1
|
1.0
|
N
|
A:SER186
|
3.4
|
22.2
|
1.0
|
OG
|
A:SER186
|
3.8
|
32.1
|
1.0
|
CA
|
A:PRO185
|
3.8
|
20.3
|
1.0
|
O
|
A:SER186
|
3.9
|
21.1
|
1.0
|
CB
|
A:SER349
|
4.0
|
24.5
|
1.0
|
NH1
|
A:ARG248
|
4.1
|
22.2
|
1.0
|
C
|
A:PRO185
|
4.1
|
21.3
|
1.0
|
CZ
|
A:ARG248
|
4.1
|
22.4
|
1.0
|
CD2
|
A:TYR189
|
4.2
|
21.3
|
1.0
|
CA
|
A:SER186
|
4.3
|
22.8
|
1.0
|
O
|
A:HOH1141
|
4.3
|
53.6
|
1.0
|
O
|
A:LEU184
|
4.5
|
19.8
|
1.0
|
C
|
A:SER186
|
4.5
|
22.3
|
1.0
|
CB
|
A:TYR189
|
4.6
|
19.6
|
1.0
|
CB
|
A:PRO185
|
4.6
|
18.9
|
1.0
|
CB
|
A:SER186
|
4.6
|
27.2
|
1.0
|
CG
|
A:TYR189
|
4.7
|
19.6
|
1.0
|
OG
|
A:SER349
|
4.7
|
26.4
|
1.0
|
N
|
A:SER349
|
4.8
|
26.7
|
1.0
|
CA
|
A:SER349
|
4.8
|
25.4
|
1.0
|
N
|
A:PRO185
|
4.8
|
18.8
|
1.0
|
CE2
|
A:TYR189
|
5.0
|
23.4
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 4q8b
Go back to
Chlorine Binding Sites List in 4q8b
Chlorine binding site 3 out
of 5 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_03.jpg) Mono view
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl608
b:32.6
occ:1.00
|
OG
|
A:SER293
|
2.9
|
21.2
|
1.0
|
ND2
|
A:ASN264
|
3.4
|
30.4
|
1.0
|
CB
|
A:SER293
|
3.6
|
19.6
|
1.0
|
CB
|
A:ASN264
|
3.8
|
23.9
|
1.0
|
CG2
|
A:THR262
|
3.9
|
21.1
|
1.0
|
CB
|
A:ALA320
|
4.1
|
24.2
|
1.0
|
CG
|
A:ASN264
|
4.1
|
26.8
|
1.0
|
O
|
A:TYR263
|
4.2
|
19.7
|
1.0
|
CA
|
A:SER293
|
4.2
|
19.2
|
1.0
|
CA
|
A:ASN264
|
4.5
|
21.3
|
1.0
|
C
|
A:TYR263
|
4.7
|
20.0
|
1.0
|
N
|
A:ASN264
|
4.7
|
21.3
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 4q8b
Go back to
Chlorine Binding Sites List in 4q8b
Chlorine binding site 4 out
of 5 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_04.jpg) Mono view
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl607
b:32.8
occ:1.00
|
O
|
B:HOH945
|
3.0
|
31.8
|
1.0
|
NE2
|
B:GLN442
|
3.3
|
25.2
|
1.0
|
O
|
B:HOH1046
|
3.4
|
35.0
|
1.0
|
O
|
B:HOH864
|
3.4
|
36.5
|
1.0
|
N
|
B:GLY376
|
3.6
|
27.8
|
1.0
|
CA
|
B:ALA375
|
3.9
|
23.4
|
1.0
|
CD
|
B:GLN442
|
4.2
|
21.4
|
1.0
|
O
|
B:PRO414
|
4.2
|
20.1
|
1.0
|
C
|
B:ALA375
|
4.2
|
26.4
|
1.0
|
CB
|
B:ALA375
|
4.2
|
25.3
|
1.0
|
CG2
|
B:THR415
|
4.3
|
21.1
|
1.0
|
CG
|
B:PRO414
|
4.3
|
22.1
|
1.0
|
OE1
|
B:GLN442
|
4.3
|
25.1
|
1.0
|
O
|
B:GLY376
|
4.3
|
25.6
|
1.0
|
CA
|
B:GLY376
|
4.6
|
27.1
|
1.0
|
C
|
B:PRO414
|
4.6
|
22.4
|
1.0
|
CA
|
B:THR415
|
4.7
|
22.9
|
1.0
|
O
|
B:LEU374
|
4.7
|
22.3
|
1.0
|
N
|
B:THR415
|
4.9
|
23.5
|
1.0
|
O7
|
B:SXX605
|
4.9
|
31.2
|
1.0
|
O
|
B:HOH1042
|
4.9
|
29.8
|
1.0
|
CB
|
B:PRO414
|
4.9
|
22.1
|
1.0
|
CB
|
B:THR415
|
4.9
|
21.4
|
1.0
|
C
|
B:GLY376
|
5.0
|
28.1
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 4q8b
Go back to
Chlorine Binding Sites List in 4q8b
Chlorine binding site 5 out
of 5 in the The Crystal Structure of Cota Laccase Complexed with Sinapic Acid
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_05.jpg) Mono view
![](/pictures/CL/pdb/q8/4q8b-CL-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Crystal Structure of Cota Laccase Complexed with Sinapic Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl608
b:46.9
occ:1.00
|
CA
|
B:GLY404
|
3.6
|
30.1
|
1.0
|
CA
|
B:GLY482
|
3.8
|
27.7
|
1.0
|
CG2
|
B:THR480
|
3.9
|
27.9
|
1.0
|
CA
|
B:PRO483
|
4.0
|
27.4
|
1.0
|
N
|
B:GLY404
|
4.1
|
28.1
|
1.0
|
N
|
B:GLY482
|
4.1
|
26.6
|
1.0
|
C
|
B:GLY482
|
4.2
|
25.8
|
1.0
|
N
|
B:PRO483
|
4.3
|
25.7
|
1.0
|
O
|
B:PHE481
|
4.4
|
27.6
|
1.0
|
C
|
B:PHE481
|
4.5
|
25.4
|
1.0
|
C
|
B:GLY404
|
4.6
|
29.2
|
1.0
|
CB
|
B:PRO483
|
4.8
|
26.7
|
1.0
|
O
|
B:GLY404
|
4.9
|
33.5
|
1.0
|
O
|
B:GLY482
|
5.0
|
26.5
|
1.0
|
|
Reference:
T.Xie,
Z.C.Liu,
G.G.Wang.
The Crystal Structure of Cota Laccase Complexed with Sinapic Acid To Be Published.
Page generated: Fri Jul 26 00:23:11 2024
|