Chlorine in PDB 3ks7: Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
Protein crystallography data
The structure of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution, PDB code: 3ks7
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)
|
29.88 /
2.30
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.057,
119.221,
154.314,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.1 /
23.7
|
Other elements in 3ks7:
The structure of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
(pdb code 3ks7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the
Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution, PDB code: 3ks7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 1 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl9
b:58.2
occ:1.00
|
CA
|
A:GLU134
|
3.6
|
32.8
|
1.0
|
CB
|
A:GLU134
|
3.8
|
32.8
|
1.0
|
C
|
A:GLU134
|
4.0
|
32.4
|
1.0
|
N
|
A:LYS135
|
4.2
|
31.7
|
1.0
|
CG
|
A:GLU134
|
4.3
|
33.4
|
1.0
|
CB
|
A:SER130
|
4.4
|
38.2
|
1.0
|
O
|
A:GLU134
|
4.5
|
32.4
|
1.0
|
O
|
A:SER130
|
4.7
|
38.1
|
1.0
|
N
|
A:GLU134
|
5.0
|
33.3
|
1.0
|
|
Chlorine binding site 2 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 2 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl11
b:40.7
occ:1.00
|
NH2
|
A:ARG97
|
3.0
|
42.5
|
1.0
|
N
|
A:GLY329
|
3.9
|
23.8
|
1.0
|
CA
|
A:GLY329
|
4.1
|
24.0
|
1.0
|
CB
|
A:SER356
|
4.1
|
21.5
|
1.0
|
CZ
|
A:ARG97
|
4.2
|
41.9
|
1.0
|
OG
|
A:SER356
|
4.3
|
21.5
|
1.0
|
CE1
|
A:PHE158
|
4.3
|
20.6
|
1.0
|
CZ3
|
A:TRP98
|
4.5
|
34.9
|
1.0
|
CZ
|
A:PHE158
|
4.5
|
19.4
|
1.0
|
NH1
|
A:ARG97
|
4.6
|
43.1
|
1.0
|
|
Chlorine binding site 3 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 3 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl12
b:42.1
occ:1.00
|
N
|
A:ARG97
|
3.4
|
25.0
|
1.0
|
CG
|
A:ARG97
|
3.4
|
30.9
|
1.0
|
CB
|
A:ARG97
|
3.9
|
26.6
|
1.0
|
CA
|
A:ASP96
|
4.0
|
23.3
|
1.0
|
O
|
A:GLY95
|
4.0
|
22.4
|
1.0
|
CG2
|
A:THR213
|
4.1
|
21.1
|
1.0
|
CD1
|
A:TRP98
|
4.2
|
31.2
|
1.0
|
C
|
A:ASP96
|
4.2
|
24.1
|
1.0
|
NE1
|
A:TRP98
|
4.2
|
32.8
|
1.0
|
CA
|
A:ARG97
|
4.3
|
26.3
|
1.0
|
OD1
|
A:ASP96
|
4.3
|
23.5
|
1.0
|
CD
|
A:ARG97
|
4.7
|
35.8
|
1.0
|
CG
|
A:ASP96
|
4.7
|
23.3
|
1.0
|
C
|
A:GLY95
|
4.9
|
22.3
|
1.0
|
N
|
A:ASP96
|
4.9
|
22.6
|
1.0
|
CB
|
A:ASP96
|
5.0
|
23.4
|
1.0
|
|
Chlorine binding site 4 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 4 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl8
b:36.6
occ:1.00
|
CB
|
B:ARG97
|
3.5
|
27.5
|
1.0
|
N
|
B:ARG97
|
3.5
|
25.5
|
1.0
|
O
|
B:GLY95
|
4.0
|
22.2
|
1.0
|
CG2
|
B:THR213
|
4.1
|
20.1
|
1.0
|
CA
|
B:ARG97
|
4.2
|
26.7
|
1.0
|
NE
|
B:ARG97
|
4.2
|
39.5
|
1.0
|
CA
|
B:ASP96
|
4.2
|
23.5
|
1.0
|
CD1
|
B:TRP98
|
4.3
|
31.2
|
1.0
|
NE1
|
B:TRP98
|
4.3
|
32.0
|
1.0
|
OD1
|
B:ASP96
|
4.3
|
22.8
|
1.0
|
C
|
B:ASP96
|
4.4
|
24.4
|
1.0
|
CD
|
B:ARG97
|
4.6
|
36.7
|
1.0
|
CG
|
B:ARG97
|
4.6
|
32.2
|
1.0
|
CG
|
B:ASP96
|
4.9
|
23.0
|
1.0
|
C
|
B:GLY95
|
4.9
|
22.5
|
1.0
|
OH
|
B:TYR163
|
4.9
|
28.9
|
1.0
|
|
Chlorine binding site 5 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 5 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl14
b:48.9
occ:1.00
|
CA
|
B:GLU134
|
3.9
|
33.0
|
1.0
|
CB
|
B:GLU134
|
3.9
|
33.2
|
1.0
|
C
|
B:GLU134
|
4.1
|
32.5
|
1.0
|
N
|
B:LYS135
|
4.3
|
31.8
|
1.0
|
CB
|
B:SER130
|
4.3
|
38.3
|
1.0
|
CG
|
B:GLU134
|
4.5
|
33.9
|
1.0
|
O
|
B:SER130
|
4.7
|
38.4
|
1.0
|
O
|
B:GLU134
|
4.7
|
32.5
|
1.0
|
|
Chlorine binding site 6 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 6 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 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 Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl16
b:48.3
occ:1.00
|
N
|
B:ASP168
|
3.4
|
42.6
|
1.0
|
ND2
|
B:ASN167
|
3.5
|
40.1
|
1.0
|
CA
|
D:ASP304
|
3.9
|
25.5
|
1.0
|
C
|
D:ASP304
|
3.9
|
25.8
|
1.0
|
CG
|
B:ASN167
|
3.9
|
40.5
|
1.0
|
CB
|
B:ASP168
|
3.9
|
44.2
|
1.0
|
CA
|
B:ASN167
|
3.9
|
39.7
|
1.0
|
O
|
D:ASP304
|
4.1
|
25.8
|
1.0
|
C
|
B:ASN167
|
4.2
|
41.0
|
1.0
|
CA
|
B:ASP168
|
4.3
|
44.0
|
1.0
|
OG1
|
D:THR386
|
4.3
|
23.8
|
1.0
|
N
|
D:GLY305
|
4.3
|
26.5
|
1.0
|
OD1
|
D:ASP304
|
4.4
|
26.3
|
1.0
|
CB
|
D:THR386
|
4.4
|
24.0
|
1.0
|
CB
|
B:ASN167
|
4.4
|
39.9
|
1.0
|
OD1
|
B:ASN167
|
4.4
|
42.2
|
1.0
|
CB
|
D:ASP304
|
4.5
|
25.6
|
1.0
|
O
|
D:HOH459
|
4.8
|
20.0
|
1.0
|
CG
|
D:ASP304
|
4.9
|
26.1
|
1.0
|
O
|
B:ASN166
|
4.9
|
35.6
|
1.0
|
N
|
D:ASP304
|
5.0
|
24.9
|
1.0
|
|
Chlorine binding site 7 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 7 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl10
b:35.1
occ:1.00
|
OG1
|
C:THR268
|
3.3
|
25.5
|
1.0
|
CA
|
C:PHE267
|
3.7
|
25.5
|
1.0
|
O
|
C:ASP266
|
3.8
|
25.9
|
1.0
|
C
|
C:PHE267
|
3.8
|
25.6
|
1.0
|
N
|
C:PHE267
|
3.9
|
25.7
|
1.0
|
C
|
C:ASP266
|
3.9
|
25.9
|
1.0
|
N
|
C:THR268
|
3.9
|
25.9
|
1.0
|
O
|
C:HOH503
|
4.1
|
15.6
|
1.0
|
CE
|
C:LYS384
|
4.2
|
29.0
|
1.0
|
CB
|
C:ASP266
|
4.2
|
26.1
|
1.0
|
CB
|
C:THR268
|
4.4
|
26.1
|
1.0
|
O
|
C:PHE267
|
4.4
|
25.1
|
1.0
|
CA
|
C:THR268
|
4.7
|
26.0
|
1.0
|
CA
|
C:ASP266
|
4.8
|
25.9
|
1.0
|
CG
|
C:LYS384
|
5.0
|
26.8
|
1.0
|
|
Chlorine binding site 8 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 8 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl13
b:41.5
occ:1.00
|
N
|
C:ARG97
|
3.3
|
25.6
|
1.0
|
CB
|
C:ARG97
|
3.5
|
27.5
|
1.0
|
O
|
C:GLY95
|
3.9
|
23.2
|
1.0
|
CA
|
C:ARG97
|
4.1
|
26.6
|
1.0
|
CA
|
C:ASP96
|
4.1
|
23.9
|
1.0
|
CG2
|
C:THR213
|
4.1
|
20.8
|
1.0
|
CD1
|
C:TRP98
|
4.2
|
31.1
|
1.0
|
C
|
C:ASP96
|
4.2
|
24.6
|
1.0
|
NE1
|
C:TRP98
|
4.3
|
32.1
|
1.0
|
OD1
|
C:ASP96
|
4.4
|
23.3
|
1.0
|
CG
|
C:ARG97
|
4.8
|
31.2
|
1.0
|
C
|
C:GLY95
|
4.8
|
23.1
|
1.0
|
CD
|
C:ARG97
|
4.9
|
35.8
|
1.0
|
CG
|
C:ASP96
|
4.9
|
23.7
|
1.0
|
N
|
C:ASP96
|
4.9
|
23.4
|
1.0
|
|
Chlorine binding site 9 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 9 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl15
b:50.0
occ:1.00
|
N
|
C:GLY329
|
3.8
|
24.5
|
1.0
|
O
|
C:HOH518
|
3.8
|
23.0
|
1.0
|
NH2
|
C:ARG97
|
3.8
|
42.6
|
1.0
|
CA
|
C:GLY329
|
3.9
|
24.9
|
1.0
|
CB
|
C:SER356
|
4.0
|
21.4
|
1.0
|
OG
|
C:SER356
|
4.1
|
21.6
|
1.0
|
CE1
|
C:PHE158
|
4.5
|
20.0
|
1.0
|
CZ
|
C:PHE158
|
4.6
|
19.2
|
1.0
|
CZ3
|
C:TRP98
|
4.6
|
34.5
|
1.0
|
NH1
|
C:ARG97
|
4.7
|
42.7
|
1.0
|
CZ
|
C:ARG97
|
4.7
|
41.8
|
1.0
|
C
|
C:GLY329
|
4.9
|
24.9
|
1.0
|
|
Chlorine binding site 10 out
of 10 in 3ks7
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Chlorine Binding Sites List in 3ks7
Chlorine binding site 10 out
of 10 in the Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of Putative Peptide:N-Glycosidase F (Pngase F) (YP_210507.1) From Bacteroides Fragilis Nctc 9343 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl17
b:49.7
occ:1.00
|
N
|
D:ARG97
|
3.2
|
24.0
|
1.0
|
CB
|
D:ARG97
|
3.7
|
24.5
|
1.0
|
CG2
|
D:THR213
|
3.9
|
19.3
|
1.0
|
CA
|
D:ASP96
|
3.9
|
23.3
|
1.0
|
O
|
D:GLY95
|
4.0
|
22.9
|
1.0
|
C
|
D:ASP96
|
4.1
|
23.6
|
1.0
|
CA
|
D:ARG97
|
4.1
|
24.3
|
1.0
|
CD1
|
D:TRP98
|
4.2
|
29.7
|
1.0
|
OD1
|
D:ASP96
|
4.3
|
23.0
|
1.0
|
NE1
|
D:TRP98
|
4.3
|
31.1
|
1.0
|
O1
|
D:EDO416
|
4.4
|
58.8
|
1.0
|
CG
|
D:ASP96
|
4.6
|
23.6
|
1.0
|
C
|
D:GLY95
|
4.8
|
22.7
|
1.0
|
N
|
D:ASP96
|
4.8
|
23.1
|
1.0
|
OH
|
D:TYR163
|
4.8
|
29.0
|
1.0
|
CB
|
D:ASP96
|
4.9
|
23.5
|
1.0
|
CB
|
D:THR213
|
4.9
|
21.0
|
1.0
|
N
|
D:TRP98
|
5.0
|
24.5
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 22:48:25 2024
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