Copper in PDB 9cpm: Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
Enzymatic activity of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
All present enzymatic activity of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence:
1.10.3.2;
Protein crystallography data
The structure of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence, PDB code: 9cpm
was solved by
J.Lee,
B.Miranda-Zaragoza,
C.Rodriguez-Almazan,
N.C.J.Strynadka,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
51.17 /
1.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.927,
66.032,
74.057,
90,
100.14,
90
|
R / Rfree (%)
|
15.3 /
18.2
|
Copper Binding Sites:
The binding sites of Copper atom in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
(pdb code 9cpm). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 5 binding sites of Copper where determined in the
Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence, PDB code: 9cpm:
Jump to Copper binding site number:
1;
2;
3;
4;
5;
Copper binding site 1 out
of 5 in 9cpm
Go back to
Copper Binding Sites List in 9cpm
Copper binding site 1 out
of 5 in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu501
b:10.5
occ:1.00
|
ND1
|
A:HIS450
|
2.0
|
10.0
|
1.0
|
ND1
|
A:HIS393
|
2.1
|
9.6
|
1.0
|
SG
|
A:CYS445
|
2.2
|
12.8
|
1.0
|
CE1
|
A:HIS393
|
3.0
|
10.4
|
1.0
|
CE1
|
A:HIS450
|
3.0
|
8.8
|
1.0
|
CG
|
A:HIS450
|
3.0
|
9.8
|
1.0
|
CG
|
A:HIS393
|
3.1
|
9.9
|
1.0
|
CB
|
A:CYS445
|
3.3
|
13.9
|
1.0
|
CB
|
A:HIS450
|
3.3
|
9.6
|
1.0
|
CB
|
A:HIS393
|
3.5
|
9.6
|
1.0
|
SD
|
A:MET455
|
3.6
|
19.7
|
1.0
|
CA
|
A:HIS393
|
3.9
|
8.7
|
1.0
|
CD1
|
A:ILE447
|
4.0
|
9.1
|
1.0
|
CB
|
A:ILE447
|
4.0
|
8.3
|
1.0
|
NE2
|
A:HIS393
|
4.1
|
9.8
|
1.0
|
CD2
|
A:HIS450
|
4.1
|
9.6
|
1.0
|
NE2
|
A:HIS450
|
4.1
|
9.5
|
1.0
|
CD2
|
A:HIS393
|
4.2
|
9.5
|
1.0
|
CG1
|
A:ILE447
|
4.3
|
9.1
|
1.0
|
O
|
A:ASP392
|
4.4
|
9.2
|
1.0
|
CD
|
A:PRO394
|
4.4
|
8.6
|
1.0
|
CE
|
A:MET455
|
4.5
|
16.8
|
1.0
|
CA
|
A:CYS445
|
4.6
|
10.6
|
1.0
|
O
|
A:ILE447
|
4.7
|
8.5
|
1.0
|
N
|
A:ILE447
|
4.7
|
7.9
|
1.0
|
CA
|
A:HIS450
|
4.8
|
9.5
|
1.0
|
CG2
|
A:ILE447
|
4.9
|
9.6
|
1.0
|
C
|
A:HIS393
|
4.9
|
9.2
|
1.0
|
N
|
A:HIS393
|
4.9
|
8.8
|
1.0
|
CA
|
A:ILE447
|
4.9
|
8.4
|
1.0
|
N
|
A:PRO394
|
5.0
|
9.2
|
1.0
|
|
Copper binding site 2 out
of 5 in 9cpm
Go back to
Copper Binding Sites List in 9cpm
Copper binding site 2 out
of 5 in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu502
b:15.4
occ:1.00
|
NE2
|
A:HIS95
|
2.0
|
12.3
|
1.0
|
NE2
|
A:HIS396
|
2.0
|
10.8
|
1.0
|
O
|
A:HOH763
|
2.8
|
21.3
|
1.0
|
CD2
|
A:HIS95
|
2.9
|
13.2
|
1.0
|
CD2
|
A:HIS396
|
3.0
|
10.8
|
1.0
|
CE1
|
A:HIS396
|
3.0
|
9.7
|
1.0
|
CE1
|
A:HIS95
|
3.0
|
13.3
|
1.0
|
CD2
|
A:HIS398
|
3.1
|
15.3
|
1.0
|
NE2
|
A:HIS398
|
3.3
|
15.4
|
1.0
|
O
|
A:HOH938
|
3.4
|
36.4
|
1.0
|
ND1
|
A:HIS97
|
3.6
|
9.7
|
1.0
|
CU
|
A:CU503
|
3.7
|
22.0
|
1.0
|
CG
|
A:HIS97
|
3.7
|
10.7
|
1.0
|
CG
|
A:HIS398
|
3.8
|
13.4
|
1.0
|
CA
|
A:HIS97
|
3.8
|
10.4
|
1.0
|
CE1
|
A:HIS398
|
3.9
|
14.1
|
1.0
|
CB
|
A:HIS97
|
4.0
|
10.6
|
1.0
|
CU
|
A:CU504
|
4.0
|
13.9
|
1.0
|
CG
|
A:HIS95
|
4.0
|
12.7
|
1.0
|
ND1
|
A:HIS396
|
4.1
|
9.7
|
1.0
|
ND1
|
A:HIS95
|
4.1
|
12.3
|
1.0
|
CG
|
A:HIS396
|
4.1
|
9.3
|
1.0
|
CE1
|
A:HIS97
|
4.1
|
11.1
|
1.0
|
ND1
|
A:HIS398
|
4.2
|
13.4
|
1.0
|
CD2
|
A:HIS97
|
4.2
|
11.8
|
1.0
|
N
|
A:GLY98
|
4.3
|
12.2
|
1.0
|
NE2
|
A:HIS97
|
4.4
|
11.2
|
1.0
|
CA
|
A:HIS398
|
4.5
|
13.5
|
1.0
|
O
|
A:HOH755
|
4.6
|
22.5
|
1.0
|
CB
|
A:HIS398
|
4.6
|
13.2
|
1.0
|
C
|
A:HIS97
|
4.7
|
10.1
|
1.0
|
O
|
A:HOH864
|
4.7
|
26.4
|
1.0
|
N
|
A:HIS97
|
4.8
|
10.8
|
1.0
|
NE2
|
A:HIS444
|
4.9
|
11.4
|
1.0
|
N
|
A:HIS398
|
4.9
|
11.6
|
1.0
|
|
Copper binding site 3 out
of 5 in 9cpm
Go back to
Copper Binding Sites List in 9cpm
Copper binding site 3 out
of 5 in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu503
b:22.0
occ:1.00
|
NE2
|
A:HIS398
|
2.0
|
15.4
|
1.0
|
NE2
|
A:HIS137
|
2.0
|
24.4
|
1.0
|
NE2
|
A:HIS444
|
2.0
|
11.4
|
1.0
|
O
|
A:HOH938
|
2.2
|
36.4
|
1.0
|
CD2
|
A:HIS137
|
2.9
|
25.8
|
1.0
|
CE1
|
A:HIS398
|
2.9
|
14.1
|
1.0
|
CD2
|
A:HIS444
|
2.9
|
11.1
|
1.0
|
CD2
|
A:HIS398
|
3.0
|
15.3
|
1.0
|
CE1
|
A:HIS444
|
3.0
|
12.1
|
1.0
|
CE1
|
A:HIS137
|
3.1
|
26.9
|
1.0
|
O
|
A:HOH652
|
3.7
|
30.3
|
1.0
|
CU
|
A:CU502
|
3.7
|
15.4
|
1.0
|
CD2
|
A:HIS396
|
3.9
|
10.8
|
1.0
|
CD2
|
A:HIS95
|
4.0
|
13.2
|
1.0
|
ND1
|
A:HIS398
|
4.0
|
13.4
|
1.0
|
CG
|
A:HIS398
|
4.1
|
13.4
|
1.0
|
CG
|
A:HIS137
|
4.1
|
20.2
|
1.0
|
NE2
|
A:HIS95
|
4.1
|
12.3
|
1.0
|
ND1
|
A:HIS444
|
4.1
|
10.7
|
1.0
|
CG
|
A:HIS444
|
4.1
|
10.0
|
1.0
|
ND1
|
A:HIS137
|
4.1
|
26.9
|
1.0
|
CG2
|
A:VAL442
|
4.3
|
13.5
|
1.0
|
NE2
|
A:HIS396
|
4.3
|
10.8
|
1.0
|
OE2
|
A:GLU451
|
4.5
|
26.4
|
1.0
|
CG
|
A:HIS95
|
4.8
|
12.7
|
1.0
|
CE1
|
A:HIS95
|
4.8
|
13.3
|
1.0
|
OE1
|
A:GLU451
|
4.9
|
30.5
|
1.0
|
CD
|
A:GLU451
|
4.9
|
22.8
|
1.0
|
CU
|
A:CU504
|
5.0
|
13.9
|
1.0
|
|
Copper binding site 4 out
of 5 in 9cpm
Go back to
Copper Binding Sites List in 9cpm
Copper binding site 4 out
of 5 in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu504
b:13.9
occ:1.00
|
ND1
|
A:HIS97
|
2.0
|
9.7
|
1.0
|
NE2
|
A:HIS135
|
2.0
|
9.1
|
1.0
|
NE2
|
A:HIS446
|
2.1
|
12.0
|
1.0
|
O
|
A:HOH938
|
2.8
|
36.4
|
1.0
|
CE1
|
A:HIS97
|
2.9
|
11.1
|
1.0
|
CE1
|
A:HIS135
|
2.9
|
9.2
|
1.0
|
CG
|
A:HIS97
|
3.0
|
10.7
|
1.0
|
CE1
|
A:HIS446
|
3.0
|
12.6
|
1.0
|
CD2
|
A:HIS135
|
3.0
|
9.6
|
1.0
|
CD2
|
A:HIS446
|
3.2
|
12.3
|
1.0
|
CB
|
A:HIS97
|
3.4
|
10.6
|
1.0
|
CZ2
|
A:TRP133
|
3.6
|
9.6
|
1.0
|
CE2
|
A:TRP133
|
4.0
|
9.9
|
1.0
|
NE2
|
A:HIS97
|
4.0
|
11.2
|
1.0
|
CD2
|
A:HIS95
|
4.0
|
13.2
|
1.0
|
CU
|
A:CU502
|
4.0
|
15.4
|
1.0
|
CD2
|
A:HIS97
|
4.1
|
11.8
|
1.0
|
ND1
|
A:HIS135
|
4.1
|
9.2
|
1.0
|
NE1
|
A:TRP133
|
4.1
|
11.3
|
1.0
|
CG
|
A:HIS135
|
4.2
|
8.9
|
1.0
|
ND1
|
A:HIS446
|
4.2
|
11.4
|
1.0
|
CG
|
A:HIS446
|
4.3
|
10.8
|
1.0
|
CH2
|
A:TRP133
|
4.4
|
10.1
|
1.0
|
NE2
|
A:HIS396
|
4.4
|
10.8
|
1.0
|
CD2
|
A:HIS396
|
4.6
|
10.8
|
1.0
|
CA
|
A:HIS97
|
4.6
|
10.4
|
1.0
|
NE2
|
A:HIS95
|
4.6
|
12.3
|
1.0
|
O
|
A:HOH652
|
4.6
|
30.3
|
1.0
|
CD2
|
A:TRP133
|
4.9
|
9.6
|
1.0
|
CU
|
A:CU503
|
5.0
|
22.0
|
1.0
|
|
Copper binding site 5 out
of 5 in 9cpm
Go back to
Copper Binding Sites List in 9cpm
Copper binding site 5 out
of 5 in the Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence
 Mono view
 Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 5 of Thermus Thermophilus HB27 Laccase (Tth-Lac) Mutant with Partial Deletion of Beta-Hairpin Sequence within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu505
b:18.8
occ:1.00
|
NE2
|
A:GLN36
|
1.9
|
12.0
|
0.6
|
NE2
|
A:GLN36
|
2.6
|
13.7
|
0.5
|
O
|
A:HOH966
|
2.7
|
32.1
|
1.0
|
OE1
|
A:GLN36
|
2.7
|
12.4
|
0.5
|
CD
|
A:GLN36
|
3.0
|
15.7
|
0.5
|
CD
|
A:GLN36
|
3.2
|
16.6
|
0.6
|
CG
|
A:GLN36
|
4.0
|
14.7
|
0.6
|
OE1
|
A:GLN36
|
4.1
|
14.6
|
0.6
|
O
|
A:HOH980
|
4.1
|
43.3
|
1.0
|
CG
|
A:GLN36
|
4.5
|
13.3
|
0.5
|
|
Reference:
B.Miranda-Zaragoza,
G.A.Huerta-Miranda,
W.I.Garcia-Garcia,
E.Hernandez-Alvarez,
A.Solano-Peralta,
J.Lee,
N.Strynadka,
M.Miranda-Hernandez,
C.Rodriguez-Almazan.
Structure-Function Relationship of the Beta-Hairpin of Thermus Thermophilus HB27 Laccase. Int J Mol Sci V. 26 2025.
ISSN: ESSN 1422-0067
PubMed: 39859450
DOI: 10.3390/IJMS26020735
Page generated: Sun Feb 9 06:53:21 2025
|