Chlorine in PDB 3jzd: Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
Protein crystallography data
The structure of Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution, PDB code: 3jzd
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)
|
29.71 /
2.10
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
143.841,
143.841,
169.011,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.4 /
21
|
Other elements in 3jzd:
The structure of Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
(pdb code 3jzd). 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 Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution, PDB code: 3jzd:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 3jzd
Go back to
Chlorine Binding Sites List in 3jzd
Chlorine binding site 1 out
of 4 in the Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
 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 Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl360
b:30.8
occ:1.00
|
O
|
A:HOH479
|
2.9
|
32.5
|
1.0
|
O
|
A:HOH433
|
3.2
|
15.1
|
1.0
|
N
|
A:ALA293
|
3.4
|
17.6
|
1.0
|
CB
|
A:MSE279
|
3.6
|
17.3
|
1.0
|
CD
|
A:ARG283
|
3.6
|
19.8
|
1.0
|
CA
|
A:SER292
|
3.7
|
18.0
|
1.0
|
CB
|
A:SER292
|
3.8
|
18.2
|
1.0
|
CG
|
A:MSE279
|
3.8
|
13.9
|
1.0
|
C
|
A:SER292
|
4.1
|
18.1
|
1.0
|
CB
|
A:ALA293
|
4.1
|
15.5
|
1.0
|
CA
|
A:ALA293
|
4.4
|
16.8
|
1.0
|
CG
|
A:ARG283
|
4.5
|
18.2
|
1.0
|
SE
|
A:MSE279
|
4.5
|
16.2
|
0.8
|
O
|
A:HOH466
|
4.5
|
22.9
|
1.0
|
CB
|
A:ALA272
|
4.6
|
12.3
|
1.0
|
NE
|
A:ARG283
|
4.6
|
20.2
|
1.0
|
O
|
A:HOH428
|
4.7
|
44.1
|
1.0
|
CA
|
A:MSE279
|
4.8
|
15.3
|
1.0
|
O
|
A:HOH484
|
4.8
|
24.3
|
1.0
|
O
|
A:HOH443
|
4.9
|
20.2
|
1.0
|
O
|
A:MSE279
|
4.9
|
16.4
|
1.0
|
C
|
A:MSE279
|
4.9
|
16.2
|
1.0
|
N
|
A:SER292
|
5.0
|
16.4
|
1.0
|
N
|
A:ALA294
|
5.0
|
16.4
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 3jzd
Go back to
Chlorine Binding Sites List in 3jzd
Chlorine binding site 2 out
of 4 in the Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
 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 Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl358
b:29.3
occ:1.00
|
O
|
B:HOH841
|
2.7
|
36.1
|
1.0
|
O
|
B:HOH414
|
3.1
|
17.2
|
1.0
|
N
|
B:ALA293
|
3.3
|
15.1
|
1.0
|
CD
|
B:ARG283
|
3.6
|
18.3
|
1.0
|
CA
|
B:SER292
|
3.6
|
18.0
|
1.0
|
CB
|
B:MSE279
|
3.6
|
16.7
|
1.0
|
CB
|
B:SER292
|
3.7
|
18.9
|
1.0
|
CG
|
B:MSE279
|
3.9
|
18.0
|
1.0
|
C
|
B:SER292
|
3.9
|
16.5
|
1.0
|
CB
|
B:ALA293
|
4.1
|
11.1
|
1.0
|
CA
|
B:ALA293
|
4.3
|
14.6
|
1.0
|
SE
|
B:MSE279
|
4.3
|
16.0
|
0.8
|
CG
|
B:ARG283
|
4.4
|
15.0
|
1.0
|
O
|
B:HOH894
|
4.5
|
17.9
|
0.5
|
O
|
B:HOH369
|
4.6
|
18.1
|
1.0
|
O
|
B:HOH894
|
4.6
|
25.0
|
0.5
|
CB
|
B:ALA272
|
4.6
|
15.0
|
1.0
|
NE
|
B:ARG283
|
4.6
|
23.2
|
1.0
|
CA
|
B:MSE279
|
4.8
|
15.9
|
1.0
|
O
|
B:MSE279
|
4.9
|
17.4
|
1.0
|
O
|
B:HOH375
|
4.9
|
27.7
|
1.0
|
O
|
B:HOH456
|
4.9
|
20.3
|
1.0
|
N
|
B:SER292
|
4.9
|
18.5
|
1.0
|
N
|
B:ALA294
|
5.0
|
14.9
|
1.0
|
OG
|
B:SER292
|
5.0
|
20.8
|
1.0
|
C
|
B:MSE279
|
5.0
|
16.1
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 3jzd
Go back to
Chlorine Binding Sites List in 3jzd
Chlorine binding site 3 out
of 4 in the Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
 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 Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl358
b:39.7
occ:1.00
|
O
|
C:HOH521
|
2.8
|
34.9
|
1.0
|
O
|
C:HOH379
|
3.1
|
17.3
|
1.0
|
N
|
C:ALA293
|
3.2
|
18.5
|
1.0
|
CD
|
C:ARG283
|
3.4
|
30.1
|
1.0
|
CB
|
C:MSE279
|
3.6
|
17.4
|
1.0
|
CA
|
C:SER292
|
3.7
|
21.2
|
1.0
|
CB
|
C:SER292
|
3.8
|
21.2
|
1.0
|
CG
|
C:MSE279
|
3.9
|
20.4
|
1.0
|
CB
|
C:ALA293
|
4.0
|
16.5
|
1.0
|
C
|
C:SER292
|
4.0
|
20.6
|
1.0
|
CA
|
C:ALA293
|
4.2
|
18.0
|
1.0
|
CG
|
C:ARG283
|
4.3
|
24.5
|
1.0
|
SE
|
C:MSE279
|
4.3
|
21.7
|
0.8
|
NE
|
C:ARG283
|
4.5
|
26.2
|
1.0
|
O
|
C:HOH367
|
4.5
|
21.4
|
1.0
|
CB
|
C:ALA272
|
4.6
|
17.1
|
1.0
|
O
|
C:HOH700
|
4.7
|
42.1
|
1.0
|
CA
|
C:MSE279
|
4.7
|
16.8
|
1.0
|
O
|
C:MSE279
|
4.8
|
15.2
|
1.0
|
O
|
C:HOH368
|
4.8
|
23.9
|
1.0
|
C
|
C:MSE279
|
4.9
|
16.9
|
1.0
|
N
|
C:ALA294
|
5.0
|
17.0
|
1.0
|
N
|
C:SER292
|
5.0
|
23.5
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 3jzd
Go back to
Chlorine Binding Sites List in 3jzd
Chlorine binding site 4 out
of 4 in the Crystal Structure of Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution
 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 Putative Alcohol Dehedrogenase (YP_298327.1) From Ralstonia Eutropha JMP134 at 2.10 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl358
b:29.7
occ:1.00
|
O
|
D:HOH749
|
2.8
|
36.0
|
1.0
|
O
|
D:HOH364
|
3.2
|
16.6
|
1.0
|
N
|
D:ALA293
|
3.3
|
19.4
|
1.0
|
CD
|
D:ARG283
|
3.4
|
28.8
|
1.0
|
CB
|
D:MSE279
|
3.8
|
20.6
|
1.0
|
CA
|
D:SER292
|
3.8
|
20.9
|
1.0
|
CB
|
D:ALA293
|
3.9
|
17.8
|
1.0
|
CB
|
D:SER292
|
3.9
|
22.5
|
1.0
|
C
|
D:SER292
|
4.0
|
20.5
|
1.0
|
CG
|
D:MSE279
|
4.1
|
24.6
|
1.0
|
CA
|
D:ALA293
|
4.2
|
19.3
|
1.0
|
CG
|
D:ARG283
|
4.4
|
24.1
|
1.0
|
SE
|
D:MSE279
|
4.4
|
20.3
|
0.8
|
NE
|
D:ARG283
|
4.4
|
29.9
|
1.0
|
CB
|
D:ALA272
|
4.6
|
17.3
|
1.0
|
CA
|
D:MSE279
|
4.8
|
19.3
|
1.0
|
O
|
D:HOH453
|
4.9
|
19.9
|
1.0
|
O
|
D:MSE279
|
4.9
|
19.1
|
1.0
|
NH1
|
D:ARG283
|
4.9
|
36.3
|
1.0
|
N
|
D:ALA294
|
5.0
|
18.2
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 22:17:34 2024
|