Chlorine in PDB 3on7: Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution, PDB code: 3on7
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.59 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.189,
95.678,
184.490,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.5 /
23.4
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
(pdb code 3on7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution, PDB code: 3on7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 1 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_01.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-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 Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl281
b:23.4
occ:1.00
|
NH1
|
D:ARG272
|
3.1
|
21.4
|
1.0
|
NH1
|
A:ARG272
|
3.2
|
22.9
|
1.0
|
O
|
D:HOH941
|
3.5
|
46.9
|
1.0
|
CD
|
D:ARG272
|
3.8
|
20.5
|
1.0
|
CD
|
A:ARG272
|
3.9
|
20.9
|
1.0
|
CD2
|
A:LEU276
|
4.0
|
25.6
|
1.0
|
CD2
|
D:LEU276
|
4.1
|
26.2
|
1.0
|
CD1
|
A:LEU276
|
4.2
|
23.8
|
1.0
|
CZ
|
D:ARG272
|
4.2
|
24.1
|
1.0
|
CZ
|
A:ARG272
|
4.2
|
23.8
|
1.0
|
CG
|
D:ARG272
|
4.3
|
17.9
|
1.0
|
CG
|
A:ARG272
|
4.4
|
17.8
|
1.0
|
NE
|
D:ARG272
|
4.4
|
22.1
|
1.0
|
NE
|
A:ARG272
|
4.5
|
18.3
|
1.0
|
CG
|
A:LEU276
|
4.5
|
25.5
|
1.0
|
CD1
|
D:LEU276
|
4.6
|
25.6
|
1.0
|
O
|
A:HOH567
|
4.7
|
30.5
|
1.0
|
CG
|
D:LEU276
|
4.8
|
22.8
|
1.0
|
O
|
A:HOH566
|
4.8
|
23.2
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 2 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_02.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-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 Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl283
b:24.3
occ:1.00
|
OG
|
A:SER256
|
2.9
|
20.9
|
1.0
|
ND2
|
B:ASN61
|
3.4
|
11.9
|
1.0
|
N
|
A:SER256
|
3.4
|
20.5
|
1.0
|
CB
|
A:SER256
|
3.4
|
21.3
|
1.0
|
O1
|
A:GOL287
|
3.6
|
39.8
|
1.0
|
O
|
B:HOH758
|
3.6
|
21.3
|
1.0
|
CD
|
A:PRO255
|
3.7
|
17.4
|
1.0
|
CB
|
B:ARG96
|
3.9
|
20.0
|
1.0
|
N
|
A:PRO255
|
3.9
|
18.4
|
1.0
|
CB
|
A:HIS254
|
3.9
|
17.9
|
1.0
|
CD
|
B:ARG96
|
3.9
|
24.2
|
1.0
|
CG
|
B:ARG96
|
4.0
|
25.5
|
1.0
|
CA
|
A:SER256
|
4.0
|
20.4
|
1.0
|
O
|
A:HOH703
|
4.0
|
24.7
|
1.0
|
CG
|
B:ASN61
|
4.2
|
18.1
|
1.0
|
OD1
|
B:ASN61
|
4.2
|
14.3
|
1.0
|
CB
|
A:PRO255
|
4.3
|
19.6
|
1.0
|
C
|
A:HIS254
|
4.3
|
17.6
|
1.0
|
C
|
A:PRO255
|
4.4
|
20.6
|
1.0
|
CG
|
A:PRO255
|
4.4
|
18.5
|
1.0
|
OD2
|
B:ASP66
|
4.4
|
21.3
|
1.0
|
CA
|
A:PRO255
|
4.4
|
19.2
|
1.0
|
CA
|
A:HIS254
|
4.5
|
18.0
|
1.0
|
CA
|
B:ARG96
|
4.6
|
20.2
|
1.0
|
O
|
A:HOH668
|
4.7
|
13.6
|
0.5
|
O
|
A:HOH435
|
4.8
|
22.9
|
1.0
|
NE
|
B:ARG96
|
4.8
|
20.9
|
1.0
|
N
|
B:ARG96
|
4.8
|
21.5
|
1.0
|
CG
|
A:HIS254
|
4.8
|
22.1
|
1.0
|
C1
|
A:GOL287
|
4.9
|
36.0
|
1.0
|
O
|
B:HOH493
|
4.9
|
22.7
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 3 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_03.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-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 Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl280
b:20.8
occ:1.00
|
O
|
B:HOH903
|
2.9
|
31.0
|
1.0
|
NH1
|
B:ARG272
|
3.1
|
20.6
|
1.0
|
NH1
|
C:ARG272
|
3.2
|
20.1
|
1.0
|
CD
|
B:ARG272
|
3.8
|
20.1
|
1.0
|
CD
|
C:ARG272
|
3.8
|
20.6
|
1.0
|
CZ
|
B:ARG272
|
4.1
|
21.2
|
1.0
|
CD2
|
C:LEU276
|
4.1
|
21.4
|
1.0
|
CD2
|
B:LEU276
|
4.2
|
23.8
|
1.0
|
CZ
|
C:ARG272
|
4.2
|
21.5
|
1.0
|
CD1
|
B:LEU276
|
4.2
|
25.5
|
1.0
|
CG
|
B:ARG272
|
4.3
|
16.6
|
1.0
|
CG
|
C:ARG272
|
4.3
|
16.9
|
1.0
|
NE
|
B:ARG272
|
4.3
|
17.1
|
1.0
|
CD1
|
C:LEU276
|
4.4
|
25.2
|
1.0
|
NE
|
C:ARG272
|
4.4
|
19.5
|
1.0
|
O
|
B:HOH677
|
4.5
|
30.2
|
1.0
|
O
|
C:HOH663
|
4.6
|
27.2
|
1.0
|
CG
|
B:LEU276
|
4.6
|
22.1
|
1.0
|
CG
|
C:LEU276
|
4.6
|
23.5
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 3on7
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Chlorine Binding Sites List in 3on7
Chlorine binding site 4 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_04.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-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 Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl282
b:48.6
occ:1.00
|
NH2
|
B:ARG16
|
2.9
|
36.4
|
1.0
|
NH1
|
B:ARG16
|
3.3
|
34.4
|
1.0
|
N
|
B:ASP7
|
3.4
|
25.0
|
1.0
|
CZ
|
B:ARG16
|
3.6
|
35.5
|
1.0
|
CB
|
B:ASP7
|
3.8
|
27.2
|
1.0
|
O
|
B:THR5
|
4.1
|
28.2
|
1.0
|
CA
|
B:ILE6
|
4.1
|
24.8
|
1.0
|
CA
|
B:ASP7
|
4.2
|
25.6
|
1.0
|
C
|
B:ILE6
|
4.2
|
23.6
|
1.0
|
CG2
|
B:ILE6
|
4.7
|
22.5
|
1.0
|
CB
|
B:ALA10
|
4.8
|
32.8
|
1.0
|
O
|
B:ASP7
|
4.8
|
26.9
|
1.0
|
NE
|
B:ARG16
|
4.9
|
32.5
|
1.0
|
CB
|
B:ILE6
|
5.0
|
22.9
|
1.0
|
C
|
B:THR5
|
5.0
|
27.1
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 5 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_05.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-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 Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl284
b:26.1
occ:1.00
|
OG
|
B:SER256
|
2.9
|
27.7
|
1.0
|
O
|
A:HOH748
|
3.2
|
22.5
|
1.0
|
N
|
B:SER256
|
3.4
|
20.4
|
1.0
|
ND2
|
A:ASN61
|
3.5
|
14.7
|
1.0
|
CB
|
B:SER256
|
3.5
|
22.6
|
1.0
|
CD
|
B:PRO255
|
3.8
|
19.0
|
1.0
|
N
|
B:PRO255
|
3.8
|
17.6
|
1.0
|
CB
|
B:HIS254
|
3.8
|
20.3
|
1.0
|
CB
|
A:ARG96
|
3.9
|
24.5
|
1.0
|
CG
|
A:ARG96
|
4.0
|
28.7
|
1.0
|
CB
|
B:PRO255
|
4.0
|
20.6
|
1.0
|
CD
|
A:ARG96
|
4.1
|
29.4
|
1.0
|
CA
|
B:SER256
|
4.1
|
22.8
|
1.0
|
CG
|
B:PRO255
|
4.2
|
21.9
|
1.0
|
CG
|
A:ASN61
|
4.3
|
21.7
|
1.0
|
C
|
B:HIS254
|
4.3
|
18.9
|
1.0
|
OD1
|
A:ASN61
|
4.3
|
19.4
|
1.0
|
CA
|
B:PRO255
|
4.3
|
19.1
|
1.0
|
C
|
B:PRO255
|
4.3
|
19.6
|
1.0
|
CA
|
B:HIS254
|
4.5
|
19.8
|
1.0
|
OD2
|
A:ASP66
|
4.6
|
21.4
|
1.0
|
O
|
A:HOH728
|
4.7
|
34.2
|
1.0
|
CA
|
A:ARG96
|
4.8
|
22.3
|
1.0
|
CG
|
B:HIS254
|
4.8
|
23.2
|
1.0
|
O
|
A:HOH420
|
4.9
|
23.6
|
1.0
|
N
|
A:ARG96
|
4.9
|
22.0
|
1.0
|
O
|
B:HOH308
|
4.9
|
18.6
|
1.0
|
NE
|
A:ARG96
|
5.0
|
28.5
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 6 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_06.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-CL-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl286
b:23.1
occ:1.00
|
OG
|
C:SER256
|
3.1
|
20.4
|
1.0
|
O
|
D:HOH847
|
3.4
|
20.5
|
1.0
|
ND2
|
D:ASN61
|
3.4
|
12.6
|
1.0
|
N
|
C:SER256
|
3.5
|
17.9
|
1.0
|
CB
|
C:SER256
|
3.6
|
19.0
|
1.0
|
CD
|
C:PRO255
|
3.8
|
17.0
|
1.0
|
CB
|
D:ARG96
|
3.8
|
18.7
|
1.0
|
N
|
C:PRO255
|
3.9
|
16.9
|
1.0
|
CD
|
D:ARG96
|
3.9
|
22.9
|
1.0
|
CB
|
C:HIS254
|
3.9
|
16.3
|
1.0
|
O
|
D:HOH560
|
4.0
|
28.4
|
1.0
|
CG
|
D:ARG96
|
4.1
|
21.9
|
1.0
|
CA
|
C:SER256
|
4.1
|
18.1
|
1.0
|
CG
|
D:ASN61
|
4.2
|
13.1
|
1.0
|
OD1
|
D:ASN61
|
4.2
|
16.3
|
1.0
|
CB
|
C:PRO255
|
4.3
|
17.1
|
1.0
|
C
|
C:HIS254
|
4.4
|
17.2
|
1.0
|
CG
|
C:PRO255
|
4.4
|
18.2
|
1.0
|
C
|
C:PRO255
|
4.4
|
17.4
|
1.0
|
CA
|
C:PRO255
|
4.4
|
16.7
|
1.0
|
OD2
|
D:ASP66
|
4.5
|
19.9
|
1.0
|
CA
|
C:HIS254
|
4.5
|
16.5
|
1.0
|
CA
|
D:ARG96
|
4.6
|
17.2
|
1.0
|
N
|
D:ARG96
|
4.7
|
17.3
|
1.0
|
NE
|
D:ARG96
|
4.8
|
19.2
|
1.0
|
CG
|
C:HIS254
|
4.8
|
20.0
|
1.0
|
O
|
D:HOH309
|
4.9
|
21.2
|
1.0
|
O
|
C:HOH292
|
4.9
|
14.1
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 3on7
Go back to
Chlorine Binding Sites List in 3on7
Chlorine binding site 7 out
of 7 in the Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution
![](/pictures/CL/pdb/on/3on7-CL-sphere_07.jpg) Mono view
![](/pictures/CL/pdb/on/3on7-CL-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of A Putative Oxygenase (SO_2589) From Shewanella Oneidensis at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl285
b:24.1
occ:1.00
|
OG
|
D:SER256
|
3.0
|
22.2
|
1.0
|
ND2
|
C:ASN61
|
3.2
|
11.4
|
1.0
|
N
|
D:SER256
|
3.4
|
19.2
|
1.0
|
CB
|
D:SER256
|
3.5
|
21.5
|
1.0
|
O
|
C:HOH775
|
3.6
|
20.9
|
1.0
|
CB
|
D:HIS254
|
3.8
|
18.8
|
1.0
|
CD
|
D:PRO255
|
3.8
|
17.3
|
1.0
|
N
|
D:PRO255
|
3.9
|
17.1
|
1.0
|
CB
|
C:ARG96
|
3.9
|
19.4
|
1.0
|
CD
|
C:ARG96
|
3.9
|
25.4
|
1.0
|
CG
|
C:ASN61
|
4.0
|
15.6
|
1.0
|
CG
|
C:ARG96
|
4.0
|
27.1
|
1.0
|
OD1
|
C:ASN61
|
4.1
|
14.9
|
1.0
|
CA
|
D:SER256
|
4.1
|
21.8
|
1.0
|
O
|
C:HOH589
|
4.3
|
25.5
|
1.0
|
C
|
D:HIS254
|
4.3
|
16.7
|
1.0
|
C
|
D:PRO255
|
4.4
|
19.6
|
1.0
|
CG
|
D:PRO255
|
4.4
|
20.6
|
1.0
|
CB
|
D:PRO255
|
4.4
|
17.2
|
1.0
|
CA
|
D:PRO255
|
4.5
|
17.8
|
1.0
|
CA
|
D:HIS254
|
4.5
|
17.9
|
1.0
|
OD2
|
C:ASP66
|
4.5
|
19.1
|
1.0
|
O
|
C:HOH499
|
4.6
|
35.1
|
1.0
|
CA
|
C:ARG96
|
4.7
|
19.8
|
1.0
|
CG
|
D:HIS254
|
4.8
|
21.4
|
1.0
|
N
|
C:ARG96
|
4.8
|
18.6
|
1.0
|
O
|
C:HOH389
|
4.8
|
29.3
|
1.0
|
NE
|
C:ARG96
|
4.9
|
25.2
|
1.0
|
O
|
D:HOH300
|
4.9
|
16.4
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 01:48:39 2024
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