Chlorine in PDB 4hyz: Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution
Protein crystallography data
The structure of Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution, PDB code: 4hyz
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)
|
29.38 /
2.25
|
Space group
|
P 65 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.290,
66.290,
253.830,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18.7 /
20.8
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution
(pdb code 4hyz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution, PDB code: 4hyz:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 1 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 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 A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:96.8
occ:1.00
|
N
|
A:GLY45
|
3.2
|
35.4
|
1.0
|
O
|
A:HOH318
|
3.5
|
43.6
|
1.0
|
NZ
|
B:LYS105
|
3.8
|
80.9
|
1.0
|
CA
|
A:GLU44
|
3.9
|
36.7
|
1.0
|
C
|
A:GLU44
|
4.0
|
39.9
|
1.0
|
CA
|
A:GLY45
|
4.1
|
33.8
|
1.0
|
O
|
A:PHE46
|
4.2
|
35.3
|
1.0
|
CB
|
A:GLU44
|
4.5
|
39.7
|
1.0
|
N
|
A:PHE46
|
4.5
|
32.0
|
1.0
|
C
|
A:GLY45
|
4.6
|
37.7
|
1.0
|
O
|
A:PRO43
|
4.9
|
38.3
|
1.0
|
CE
|
B:LYS105
|
5.0
|
61.4
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 2 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 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 A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:68.5
occ:1.00
|
O
|
A:HOH329
|
3.1
|
60.2
|
1.0
|
N
|
A:LYS48
|
3.2
|
31.8
|
1.0
|
O
|
A:HOH336
|
3.6
|
48.7
|
1.0
|
CG
|
A:LYS48
|
3.7
|
34.4
|
1.0
|
CA
|
A:ASP47
|
3.7
|
33.4
|
1.0
|
CB
|
A:ASP47
|
3.8
|
37.4
|
1.0
|
CB
|
A:LYS48
|
3.9
|
33.2
|
1.0
|
C
|
A:ASP47
|
4.0
|
34.0
|
1.0
|
CA
|
A:LYS48
|
4.2
|
31.1
|
1.0
|
NZ
|
B:LYS105
|
4.2
|
80.9
|
1.0
|
CD
|
A:LYS48
|
4.3
|
43.3
|
1.0
|
CE
|
B:LYS105
|
4.3
|
61.4
|
1.0
|
CE
|
A:LYS48
|
4.4
|
57.5
|
1.0
|
O
|
A:PHE46
|
4.6
|
35.3
|
1.0
|
CD
|
B:LYS105
|
4.7
|
53.3
|
1.0
|
CG
|
A:ASP47
|
5.0
|
50.4
|
1.0
|
OD2
|
A:ASP47
|
5.0
|
49.2
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 3 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 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 A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl205
b:85.5
occ:1.00
|
N
|
B:GLY45
|
3.1
|
33.5
|
1.0
|
O
|
B:HOH309
|
3.8
|
51.6
|
1.0
|
CA
|
B:GLU44
|
3.9
|
35.1
|
1.0
|
CA
|
B:GLY45
|
3.9
|
32.2
|
1.0
|
C
|
B:GLU44
|
3.9
|
37.0
|
1.0
|
O
|
B:PHE46
|
4.3
|
35.3
|
1.0
|
CB
|
B:GLU44
|
4.4
|
38.9
|
1.0
|
N
|
B:PHE46
|
4.5
|
29.3
|
1.0
|
C
|
B:GLY45
|
4.5
|
35.7
|
1.0
|
O
|
B:PRO43
|
4.9
|
32.8
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 4 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 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 A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl206
b:64.8
occ:1.00
|
O1
|
A:GOL207
|
3.0
|
84.5
|
1.0
|
N
|
B:LYS48
|
3.2
|
29.6
|
1.0
|
CG
|
B:LYS48
|
3.7
|
35.5
|
1.0
|
O
|
B:HOH304
|
3.7
|
42.0
|
1.0
|
OD1
|
B:ASP47
|
3.8
|
58.9
|
1.0
|
CA
|
B:ASP47
|
3.9
|
32.0
|
1.0
|
CB
|
B:LYS48
|
3.9
|
29.1
|
1.0
|
C
|
B:ASP47
|
4.0
|
32.3
|
1.0
|
CA
|
B:LYS48
|
4.2
|
29.0
|
1.0
|
C1
|
A:GOL207
|
4.2
|
84.5
|
1.0
|
CD
|
B:LYS48
|
4.3
|
43.1
|
1.0
|
CE
|
B:LYS48
|
4.3
|
59.5
|
1.0
|
CD
|
A:LYS105
|
4.5
|
64.1
|
1.0
|
CG
|
B:ASP47
|
4.5
|
51.3
|
1.0
|
O
|
B:PHE46
|
4.6
|
35.3
|
1.0
|
CB
|
B:ASP47
|
4.6
|
36.0
|
1.0
|
CG
|
A:LYS105
|
4.7
|
57.9
|
1.0
|
N
|
B:ASP47
|
5.0
|
30.5
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 5 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl207
b:90.2
occ:1.00
|
O
|
B:HOH314
|
2.9
|
68.7
|
1.0
|
N
|
B:GLU84
|
3.3
|
67.8
|
1.0
|
N
|
B:GLU85
|
3.7
|
72.4
|
1.0
|
CB
|
B:THR83
|
3.8
|
72.7
|
1.0
|
CB
|
B:GLU84
|
4.0
|
71.0
|
1.0
|
CA
|
B:GLU84
|
4.1
|
67.2
|
1.0
|
CA
|
B:THR83
|
4.2
|
65.7
|
1.0
|
C
|
B:THR83
|
4.2
|
67.5
|
1.0
|
CB
|
B:GLU85
|
4.3
|
78.0
|
1.0
|
C
|
B:GLU84
|
4.4
|
72.2
|
1.0
|
CG2
|
B:THR83
|
4.5
|
72.5
|
1.0
|
CA
|
B:GLU85
|
4.6
|
73.5
|
1.0
|
OG1
|
B:THR83
|
4.8
|
69.4
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 4hyz
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Chlorine Binding Sites List in 4hyz
Chlorine binding site 6 out
of 6 in the Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A DUF3887 Family Protein (RUMGNA_01855) From Ruminococcus Gnavus Atcc 29149 at 2.25 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl208
b:74.8
occ:1.00
|
ND2
|
B:ASN133
|
3.2
|
70.3
|
1.0
|
N
|
B:ASN133
|
3.7
|
47.4
|
1.0
|
CB
|
B:ASN133
|
3.9
|
44.6
|
1.0
|
CG
|
B:ASN133
|
3.9
|
63.5
|
1.0
|
CA
|
B:ASN133
|
4.3
|
45.5
|
1.0
|
CA
|
B:VAL132
|
4.6
|
48.8
|
1.0
|
C
|
B:VAL132
|
4.6
|
50.6
|
1.0
|
O
|
B:ASN133
|
4.8
|
47.9
|
1.0
|
O
|
B:ASN131
|
4.8
|
54.4
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 16:15:24 2024
|