Chlorine in PDB 6f3p: Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
Enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
All present enzymatic activity of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation:
3.3.1.1;
Protein crystallography data
The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation, PDB code: 6f3p
was solved by
J.Czyrko,
K.Brzezinski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
1.35
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
142.900,
85.740,
112.010,
90.00,
122.20,
90.00
|
R / Rfree (%)
|
10.1 /
12.7
|
Other elements in 6f3p:
The structure of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
(pdb code 6f3p). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation, PDB code: 6f3p:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 6f3p
Go back to
Chlorine Binding Sites List in 6f3p
Chlorine binding site 1 out
of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:17.6
occ:0.45
|
CL
|
A:CL504
|
0.0
|
17.6
|
0.5
|
CL
|
A:CL504
|
0.9
|
15.9
|
0.5
|
N
|
A:THR166
|
3.1
|
19.0
|
1.0
|
NZ
|
A:LYS194
|
3.1
|
20.1
|
1.0
|
OG1
|
A:THR166
|
3.1
|
18.9
|
0.5
|
O2D
|
A:NAD501
|
3.1
|
16.3
|
1.0
|
C6N
|
A:NAD501
|
3.3
|
14.2
|
1.0
|
CA
|
A:THR165
|
3.3
|
16.1
|
1.0
|
OD1
|
A:ASN189
|
3.4
|
20.7
|
1.0
|
ND2
|
A:ASN199
|
3.5
|
16.2
|
1.0
|
C2D
|
A:NAD501
|
3.5
|
14.8
|
1.0
|
CB
|
A:THR165
|
3.6
|
17.6
|
1.0
|
C
|
A:THR165
|
3.7
|
18.5
|
1.0
|
CB
|
A:THR166
|
3.7
|
18.8
|
0.5
|
C5N
|
A:NAD501
|
3.9
|
15.3
|
1.0
|
CG2
|
A:THR166
|
3.9
|
15.9
|
0.5
|
N1N
|
A:NAD501
|
4.0
|
14.4
|
1.0
|
CG2
|
A:THR165
|
4.0
|
19.3
|
1.0
|
CA
|
A:THR166
|
4.1
|
17.4
|
0.5
|
CG
|
A:ASN189
|
4.1
|
19.4
|
1.0
|
O
|
A:GLU164
|
4.1
|
17.6
|
1.0
|
CG
|
A:ASN199
|
4.2
|
15.4
|
1.0
|
CA
|
A:THR166
|
4.2
|
23.5
|
0.5
|
OD1
|
A:ASN199
|
4.2
|
15.8
|
1.0
|
CB
|
A:THR166
|
4.3
|
21.6
|
0.5
|
C1D
|
A:NAD501
|
4.3
|
14.9
|
1.0
|
CE
|
A:LYS194
|
4.5
|
17.3
|
1.0
|
C3'
|
A:3AD502
|
4.5
|
16.7
|
1.0
|
N
|
A:THR165
|
4.5
|
16.4
|
1.0
|
C
|
A:GLU164
|
4.7
|
16.4
|
1.0
|
ND2
|
A:ASN189
|
4.8
|
22.0
|
1.0
|
O1N
|
A:NAD501
|
4.9
|
15.9
|
1.0
|
CB
|
A:ASN189
|
4.9
|
16.5
|
1.0
|
C3D
|
A:NAD501
|
4.9
|
14.7
|
1.0
|
O
|
A:THR165
|
4.9
|
18.3
|
1.0
|
OG1
|
A:THR165
|
5.0
|
19.7
|
1.0
|
O5D
|
A:NAD501
|
5.0
|
14.2
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 6f3p
Go back to
Chlorine Binding Sites List in 6f3p
Chlorine binding site 2 out
of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl504
b:15.9
occ:0.45
|
CL
|
A:CL504
|
0.0
|
15.9
|
0.5
|
CL
|
A:CL504
|
0.9
|
17.6
|
0.5
|
O2D
|
A:NAD501
|
3.0
|
16.3
|
1.0
|
C6N
|
A:NAD501
|
3.2
|
14.2
|
1.0
|
NZ
|
A:LYS194
|
3.2
|
20.1
|
1.0
|
CA
|
A:THR165
|
3.3
|
16.1
|
1.0
|
CB
|
A:THR165
|
3.3
|
17.6
|
1.0
|
CG2
|
A:THR165
|
3.4
|
19.3
|
1.0
|
C2D
|
A:NAD501
|
3.6
|
14.8
|
1.0
|
N
|
A:THR166
|
3.6
|
19.0
|
1.0
|
C5N
|
A:NAD501
|
3.7
|
15.3
|
1.0
|
N1N
|
A:NAD501
|
3.7
|
14.4
|
1.0
|
C3'
|
A:3AD502
|
3.7
|
16.7
|
1.0
|
C
|
A:THR165
|
4.0
|
18.5
|
1.0
|
OG1
|
A:THR166
|
4.0
|
18.9
|
0.5
|
OD1
|
A:ASN189
|
4.1
|
20.7
|
1.0
|
ND2
|
A:ASN199
|
4.1
|
16.2
|
1.0
|
O
|
A:GLU164
|
4.1
|
17.6
|
1.0
|
C4'
|
A:3AD502
|
4.1
|
14.2
|
1.0
|
C1D
|
A:NAD501
|
4.1
|
14.9
|
1.0
|
C5'
|
A:3AD502
|
4.2
|
15.3
|
1.0
|
N
|
A:THR165
|
4.4
|
16.4
|
1.0
|
CB
|
A:THR166
|
4.5
|
18.8
|
0.5
|
CE
|
A:LYS194
|
4.5
|
17.3
|
1.0
|
CG2
|
A:THR166
|
4.6
|
15.9
|
0.5
|
OD1
|
A:ASN199
|
4.6
|
15.8
|
1.0
|
C2N
|
A:NAD501
|
4.6
|
15.1
|
1.0
|
C
|
A:GLU164
|
4.6
|
16.4
|
1.0
|
C4N
|
A:NAD501
|
4.6
|
14.7
|
1.0
|
CG
|
A:ASN199
|
4.7
|
15.4
|
1.0
|
CA
|
A:THR166
|
4.7
|
17.4
|
0.5
|
OG1
|
A:THR165
|
4.7
|
19.7
|
1.0
|
O2'
|
A:3AD502
|
4.8
|
15.7
|
1.0
|
C2'
|
A:3AD502
|
4.9
|
13.8
|
1.0
|
CA
|
A:THR166
|
4.9
|
23.5
|
0.5
|
CG
|
A:ASN189
|
4.9
|
19.4
|
1.0
|
C3N
|
A:NAD501
|
5.0
|
13.7
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 6f3p
Go back to
Chlorine Binding Sites List in 6f3p
Chlorine binding site 3 out
of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl504
b:15.4
occ:0.50
|
CL
|
C:CL504
|
0.0
|
15.4
|
0.5
|
CL
|
C:CL504
|
0.9
|
17.1
|
0.5
|
N
|
C:THR166
|
3.1
|
15.8
|
1.0
|
O2D
|
C:NAD501
|
3.1
|
15.0
|
1.0
|
NZ
|
C:LYS194
|
3.1
|
16.9
|
1.0
|
OG1
|
C:THR166
|
3.2
|
21.0
|
0.5
|
C6N
|
C:NAD501
|
3.3
|
11.9
|
1.0
|
CA
|
C:THR165
|
3.3
|
13.4
|
1.0
|
OD1
|
C:ASN189
|
3.4
|
17.3
|
1.0
|
ND2
|
C:ASN199
|
3.5
|
14.2
|
1.0
|
C2D
|
C:NAD501
|
3.5
|
13.4
|
1.0
|
CB
|
C:THR165
|
3.6
|
13.7
|
1.0
|
C
|
C:THR165
|
3.7
|
14.7
|
1.0
|
CB
|
C:THR166
|
3.9
|
18.5
|
0.5
|
C5N
|
C:NAD501
|
3.9
|
12.8
|
1.0
|
CG2
|
C:THR166
|
4.0
|
13.1
|
0.5
|
CG2
|
C:THR165
|
4.0
|
15.7
|
1.0
|
N1N
|
C:NAD501
|
4.0
|
13.2
|
1.0
|
O
|
C:GLU164
|
4.1
|
14.8
|
1.0
|
CG
|
C:ASN189
|
4.1
|
15.7
|
1.0
|
CA
|
C:THR166
|
4.1
|
15.4
|
0.5
|
CG
|
C:ASN199
|
4.2
|
13.9
|
1.0
|
OD1
|
C:ASN199
|
4.3
|
14.4
|
1.0
|
CA
|
C:THR166
|
4.3
|
17.5
|
0.5
|
C1D
|
C:NAD501
|
4.3
|
14.1
|
1.0
|
CB
|
C:THR166
|
4.4
|
15.6
|
0.5
|
C3'
|
C:3AD502
|
4.5
|
15.3
|
1.0
|
N
|
C:THR165
|
4.5
|
12.9
|
1.0
|
CE
|
C:LYS194
|
4.5
|
13.9
|
1.0
|
C
|
C:GLU164
|
4.7
|
13.8
|
1.0
|
ND2
|
C:ASN189
|
4.8
|
18.9
|
1.0
|
C3D
|
C:NAD501
|
4.9
|
13.8
|
1.0
|
CB
|
C:ASN189
|
4.9
|
14.4
|
1.0
|
O1N
|
C:NAD501
|
4.9
|
15.1
|
1.0
|
OG1
|
C:THR165
|
4.9
|
16.1
|
1.0
|
O
|
C:THR165
|
4.9
|
15.4
|
1.0
|
O5D
|
C:NAD501
|
5.0
|
13.4
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 6f3p
Go back to
Chlorine Binding Sites List in 6f3p
Chlorine binding site 4 out
of 4 in the Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa in Complex with 3'-Deoxyadenosine and K+ Cation within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl504
b:17.1
occ:0.50
|
CL
|
C:CL504
|
0.0
|
17.1
|
0.5
|
CL
|
C:CL504
|
0.9
|
15.4
|
0.5
|
O2D
|
C:NAD501
|
3.0
|
15.0
|
1.0
|
C6N
|
C:NAD501
|
3.1
|
11.9
|
1.0
|
NZ
|
C:LYS194
|
3.2
|
16.9
|
1.0
|
CA
|
C:THR165
|
3.3
|
13.4
|
1.0
|
CB
|
C:THR165
|
3.3
|
13.7
|
1.0
|
CG2
|
C:THR165
|
3.4
|
15.7
|
1.0
|
C2D
|
C:NAD501
|
3.5
|
13.4
|
1.0
|
C3'
|
C:3AD502
|
3.6
|
15.3
|
1.0
|
C5N
|
C:NAD501
|
3.6
|
12.8
|
1.0
|
N
|
C:THR166
|
3.7
|
15.8
|
1.0
|
N1N
|
C:NAD501
|
3.7
|
13.2
|
1.0
|
C
|
C:THR165
|
4.0
|
14.7
|
1.0
|
O
|
C:GLU164
|
4.1
|
14.8
|
1.0
|
OG1
|
C:THR166
|
4.1
|
21.0
|
0.5
|
OD1
|
C:ASN189
|
4.1
|
17.3
|
1.0
|
C4'
|
C:3AD502
|
4.1
|
12.6
|
1.0
|
C1D
|
C:NAD501
|
4.1
|
14.1
|
1.0
|
ND2
|
C:ASN199
|
4.1
|
14.2
|
1.0
|
C5'
|
C:3AD502
|
4.2
|
13.3
|
1.0
|
N
|
C:THR165
|
4.4
|
12.9
|
1.0
|
CE
|
C:LYS194
|
4.5
|
13.9
|
1.0
|
C
|
C:GLU164
|
4.6
|
13.8
|
1.0
|
C2N
|
C:NAD501
|
4.6
|
13.8
|
1.0
|
OD1
|
C:ASN199
|
4.6
|
14.4
|
1.0
|
C4N
|
C:NAD501
|
4.6
|
14.5
|
1.0
|
CB
|
C:THR166
|
4.6
|
18.5
|
0.5
|
CG2
|
C:THR166
|
4.7
|
13.1
|
0.5
|
CG
|
C:ASN199
|
4.7
|
13.9
|
1.0
|
O2'
|
C:3AD502
|
4.7
|
13.4
|
1.0
|
OG1
|
C:THR165
|
4.7
|
16.1
|
1.0
|
C2'
|
C:3AD502
|
4.8
|
11.6
|
1.0
|
CA
|
C:THR166
|
4.8
|
15.4
|
0.5
|
CG
|
C:ASN189
|
4.9
|
15.7
|
1.0
|
CA
|
C:THR166
|
4.9
|
17.5
|
0.5
|
C3N
|
C:NAD501
|
5.0
|
14.0
|
1.0
|
C3D
|
C:NAD501
|
5.0
|
13.8
|
1.0
|
|
Reference:
J.Czyrko,
J.Sliwiak,
B.Imiolczyk,
Z.Gdaniec,
M.Jaskolski,
K.Brzezinski.
Metal-Cation Regulation of Enzyme Dynamics Is A Key Factor Influencing the Activity of S-Adenosyl-L-Homocysteine Hydrolase From Pseudomonas Aeruginosa. Sci Rep V. 8 11334 2018.
ISSN: ESSN 2045-2322
PubMed: 30054521
DOI: 10.1038/S41598-018-29535-Y
Page generated: Sat Jul 27 22:56:47 2024
|