Copper in PDB 1gr7: Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
Protein crystallography data
The structure of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution, PDB code: 1gr7
was solved by
M.Okvist,
N.Bonander,
A.Sandberg,
B.G.Karlsson,
U.Krengel,
Y.Xue,
L.Sjolin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
72.55 /
1.80
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
47.790,
100.120,
106.370,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.5 /
20.8
|
Copper Binding Sites:
The binding sites of Copper atom in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
(pdb code 1gr7). This binding sites where shown within
5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the
Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution, PDB code: 1gr7:
Jump to Copper binding site number:
1;
2;
3;
4;
Copper binding site 1 out
of 4 in 1gr7
Go back to
Copper Binding Sites List in 1gr7
Copper binding site 1 out
of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 1 of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cu601
b:18.0
occ:1.00
|
ND1
|
A:HIS46
|
1.9
|
16.5
|
1.0
|
ND1
|
A:HIS117
|
2.0
|
15.5
|
1.0
|
SG
|
A:CYS112
|
2.2
|
16.4
|
1.0
|
O
|
A:GLY45
|
2.4
|
17.4
|
1.0
|
CE1
|
A:HIS46
|
2.8
|
17.3
|
1.0
|
CE1
|
A:HIS117
|
2.9
|
16.4
|
1.0
|
CG
|
A:HIS117
|
3.1
|
15.5
|
1.0
|
CG
|
A:HIS46
|
3.1
|
15.6
|
1.0
|
SD
|
A:MET121
|
3.3
|
16.7
|
1.0
|
CA
|
A:HIS46
|
3.3
|
16.0
|
1.0
|
CB
|
A:CYS112
|
3.3
|
13.8
|
1.0
|
C
|
A:GLY45
|
3.4
|
18.1
|
1.0
|
CB
|
A:HIS117
|
3.5
|
15.6
|
1.0
|
CB
|
A:HIS46
|
3.5
|
17.0
|
1.0
|
N
|
A:HIS46
|
3.8
|
16.9
|
1.0
|
CB
|
A:PHE114
|
3.8
|
16.3
|
1.0
|
NE2
|
A:HIS46
|
4.0
|
16.5
|
1.0
|
NE2
|
A:HIS117
|
4.1
|
18.3
|
1.0
|
CE
|
A:MET121
|
4.1
|
16.4
|
1.0
|
CD2
|
A:HIS46
|
4.1
|
16.8
|
1.0
|
CD2
|
A:HIS117
|
4.1
|
17.7
|
1.0
|
C
|
A:HIS46
|
4.6
|
16.2
|
1.0
|
CG
|
A:PHE114
|
4.6
|
16.2
|
1.0
|
N
|
A:ASN47
|
4.7
|
16.5
|
1.0
|
CA
|
A:CYS112
|
4.7
|
13.6
|
1.0
|
CA
|
A:GLY45
|
4.7
|
18.3
|
1.0
|
CG
|
A:MET121
|
4.8
|
15.7
|
1.0
|
N
|
A:PHE114
|
4.9
|
16.7
|
1.0
|
N
|
A:GLY45
|
4.9
|
18.6
|
1.0
|
CA
|
A:PHE114
|
4.9
|
16.6
|
1.0
|
CA
|
A:HIS117
|
5.0
|
15.9
|
1.0
|
|
Copper binding site 2 out
of 4 in 1gr7
Go back to
Copper Binding Sites List in 1gr7
Copper binding site 2 out
of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 2 of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cu602
b:17.6
occ:1.00
|
ND1
|
B:HIS46
|
2.0
|
15.1
|
1.0
|
ND1
|
B:HIS117
|
2.0
|
15.5
|
1.0
|
SG
|
B:CYS112
|
2.2
|
16.7
|
1.0
|
O
|
B:GLY45
|
2.3
|
18.4
|
1.0
|
CE1
|
B:HIS46
|
2.9
|
15.8
|
1.0
|
CE1
|
B:HIS117
|
2.9
|
15.3
|
1.0
|
CG
|
B:HIS117
|
3.1
|
17.2
|
1.0
|
CG
|
B:HIS46
|
3.1
|
14.9
|
1.0
|
CA
|
B:HIS46
|
3.2
|
16.2
|
1.0
|
C
|
B:GLY45
|
3.3
|
17.7
|
1.0
|
CB
|
B:CYS112
|
3.4
|
15.5
|
1.0
|
SD
|
B:MET121
|
3.4
|
17.8
|
1.0
|
CB
|
B:HIS117
|
3.5
|
16.6
|
1.0
|
CB
|
B:HIS46
|
3.5
|
16.6
|
1.0
|
N
|
B:HIS46
|
3.7
|
17.4
|
1.0
|
CB
|
B:PHE114
|
3.7
|
16.3
|
1.0
|
NE2
|
B:HIS46
|
4.1
|
17.8
|
1.0
|
NE2
|
B:HIS117
|
4.1
|
17.3
|
1.0
|
CE
|
B:MET121
|
4.1
|
21.1
|
1.0
|
CD2
|
B:HIS117
|
4.2
|
15.8
|
1.0
|
CD2
|
B:HIS46
|
4.2
|
18.2
|
1.0
|
C
|
B:HIS46
|
4.5
|
16.4
|
1.0
|
CG
|
B:PHE114
|
4.6
|
17.3
|
1.0
|
CA
|
B:GLY45
|
4.6
|
18.8
|
1.0
|
N
|
B:ASN47
|
4.7
|
17.4
|
1.0
|
CA
|
B:CYS112
|
4.8
|
14.8
|
1.0
|
N
|
B:PHE114
|
4.8
|
16.3
|
1.0
|
O
|
B:MET44
|
4.8
|
18.3
|
1.0
|
N
|
B:GLY45
|
4.8
|
19.2
|
1.0
|
CA
|
B:PHE114
|
4.9
|
16.8
|
1.0
|
CG
|
B:MET121
|
4.9
|
17.0
|
1.0
|
C
|
B:MET44
|
4.9
|
18.9
|
1.0
|
CA
|
B:HIS117
|
5.0
|
16.5
|
1.0
|
|
Copper binding site 3 out
of 4 in 1gr7
Go back to
Copper Binding Sites List in 1gr7
Copper binding site 3 out
of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 3 of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cu603
b:19.3
occ:1.00
|
ND1
|
C:HIS117
|
2.0
|
16.1
|
1.0
|
ND1
|
C:HIS46
|
2.0
|
12.2
|
1.0
|
O
|
C:GLY45
|
2.2
|
16.4
|
1.0
|
SG
|
C:CYS112
|
2.3
|
13.8
|
1.0
|
CE1
|
C:HIS117
|
2.9
|
18.6
|
1.0
|
CE1
|
C:HIS46
|
3.0
|
12.3
|
1.0
|
CG
|
C:HIS117
|
3.1
|
17.3
|
1.0
|
CG
|
C:HIS46
|
3.1
|
15.0
|
1.0
|
CA
|
C:HIS46
|
3.2
|
16.3
|
1.0
|
C
|
C:GLY45
|
3.2
|
16.2
|
1.0
|
CB
|
C:CYS112
|
3.4
|
15.7
|
1.0
|
SD
|
C:MET121
|
3.4
|
16.6
|
1.0
|
CB
|
C:HIS117
|
3.5
|
16.0
|
1.0
|
CB
|
C:HIS46
|
3.5
|
16.8
|
1.0
|
N
|
C:HIS46
|
3.6
|
16.2
|
1.0
|
CB
|
C:PHE114
|
3.7
|
16.9
|
1.0
|
NE2
|
C:HIS117
|
4.1
|
18.2
|
1.0
|
CE
|
C:MET121
|
4.1
|
18.9
|
1.0
|
NE2
|
C:HIS46
|
4.1
|
15.7
|
1.0
|
CD2
|
C:HIS117
|
4.2
|
15.0
|
1.0
|
CD2
|
C:HIS46
|
4.2
|
16.6
|
1.0
|
C
|
C:HIS46
|
4.4
|
16.6
|
1.0
|
CG
|
C:PHE114
|
4.6
|
16.1
|
1.0
|
CA
|
C:GLY45
|
4.6
|
18.3
|
1.0
|
N
|
C:ASN47
|
4.6
|
16.3
|
1.0
|
N
|
C:PHE114
|
4.7
|
15.9
|
1.0
|
CA
|
C:CYS112
|
4.7
|
14.8
|
1.0
|
N
|
C:GLY45
|
4.8
|
18.1
|
1.0
|
CA
|
C:PHE114
|
4.9
|
17.1
|
1.0
|
CG
|
C:MET121
|
4.9
|
14.9
|
1.0
|
C
|
C:MET44
|
4.9
|
18.1
|
1.0
|
CA
|
C:HIS117
|
4.9
|
16.8
|
1.0
|
O
|
C:MET44
|
5.0
|
19.1
|
1.0
|
|
Copper binding site 4 out
of 4 in 1gr7
Go back to
Copper Binding Sites List in 1gr7
Copper binding site 4 out
of 4 in the Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution
Mono view
Stereo pair view
|
A full contact list of Copper with other atoms in the Cu binding
site number 4 of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cu604
b:19.4
occ:1.00
|
ND1
|
D:HIS117
|
2.0
|
16.7
|
1.0
|
ND1
|
D:HIS46
|
2.0
|
14.9
|
1.0
|
SG
|
D:CYS112
|
2.3
|
12.9
|
1.0
|
O
|
D:GLY45
|
2.4
|
15.8
|
1.0
|
CE1
|
D:HIS117
|
2.9
|
18.2
|
1.0
|
CE1
|
D:HIS46
|
2.9
|
14.9
|
1.0
|
CG
|
D:HIS117
|
3.0
|
15.6
|
1.0
|
CG
|
D:HIS46
|
3.1
|
15.2
|
1.0
|
CA
|
D:HIS46
|
3.3
|
17.0
|
1.0
|
SD
|
D:MET121
|
3.3
|
17.4
|
1.0
|
CB
|
D:CYS112
|
3.3
|
12.6
|
1.0
|
C
|
D:GLY45
|
3.4
|
16.7
|
1.0
|
CB
|
D:HIS117
|
3.5
|
16.8
|
1.0
|
CB
|
D:HIS46
|
3.5
|
16.8
|
1.0
|
N
|
D:HIS46
|
3.8
|
16.6
|
1.0
|
CB
|
D:PHE114
|
3.9
|
16.8
|
1.0
|
CE
|
D:MET121
|
4.0
|
17.0
|
1.0
|
NE2
|
D:HIS117
|
4.0
|
16.6
|
1.0
|
NE2
|
D:HIS46
|
4.1
|
16.8
|
1.0
|
CD2
|
D:HIS117
|
4.1
|
15.1
|
1.0
|
CD2
|
D:HIS46
|
4.2
|
16.8
|
1.0
|
C
|
D:HIS46
|
4.6
|
18.3
|
1.0
|
CG
|
D:PHE114
|
4.7
|
18.0
|
1.0
|
N
|
D:ASN47
|
4.7
|
18.5
|
1.0
|
CA
|
D:GLY45
|
4.7
|
17.9
|
1.0
|
CA
|
D:CYS112
|
4.7
|
12.7
|
1.0
|
N
|
D:PHE114
|
4.8
|
16.0
|
1.0
|
CG
|
D:MET121
|
4.8
|
17.3
|
1.0
|
CA
|
D:PHE114
|
4.9
|
16.3
|
1.0
|
N
|
D:GLY45
|
4.9
|
18.9
|
1.0
|
CA
|
D:HIS117
|
5.0
|
17.6
|
1.0
|
|
Reference:
M.Okvist,
N.Bonander,
A.Sandberg,
B.G.Karlsson,
U.Krengel,
Y.Xue,
L.Sjolin.
Crystal Structure of the Double Azurin Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa at 1.8 A Resolution: Its Folding-Unfolding Energy and Unfolding Kinetics. Biochim.Biophys.Acta V.1596 336 2002.
ISSN: ISSN 0006-3002
PubMed: 12007613
DOI: 10.1016/S0167-4838(02)00215-7
Page generated: Tue Jul 30 21:50:36 2024
|