Chlorine in PDB 3qwn: Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution, PDB code: 3qwn
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 /
2.42
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
132.310,
132.310,
163.350,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.5 /
21.3
|
Chlorine Binding Sites:
Chlorine binding site 1 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 1 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl238
b:81.1
occ:1.00
|
OH
|
A:TYR223
|
3.4
|
44.4
|
1.0
|
O
|
D:SER84
|
3.4
|
42.4
|
1.0
|
O
|
A:VAL124
|
3.7
|
34.5
|
1.0
|
CA
|
D:ASN85
|
4.0
|
43.4
|
1.0
|
C
|
D:SER84
|
4.0
|
42.2
|
1.0
|
CB
|
D:ASN85
|
4.0
|
44.5
|
1.0
|
O
|
A:HOH703
|
4.2
|
51.2
|
1.0
|
N
|
D:ASN85
|
4.2
|
40.1
|
1.0
|
O
|
D:HOH748
|
4.4
|
52.2
|
1.0
|
O
|
A:HOH740
|
4.4
|
50.6
|
1.0
|
CZ
|
A:TYR223
|
4.4
|
45.8
|
1.0
|
C
|
A:VAL124
|
4.4
|
33.6
|
1.0
|
CE1
|
A:TYR223
|
4.6
|
35.7
|
1.0
|
O
|
A:VAL123
|
4.7
|
40.5
|
1.0
|
CA
|
A:SER125
|
4.7
|
28.8
|
1.0
|
NZ
|
A:LYS222
|
4.8
|
91.6
|
1.0
|
N
|
A:SER125
|
4.9
|
29.9
|
1.0
|
N
|
D:SER84
|
5.0
|
38.9
|
1.0
|
|
Chlorine binding site 2 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 2 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl241
b:65.9
occ:1.00
|
OH
|
D:TYR223
|
3.8
|
41.5
|
1.0
|
O
|
A:SER84
|
3.8
|
38.0
|
1.0
|
O
|
D:VAL124
|
3.9
|
35.1
|
1.0
|
C
|
A:SER84
|
4.0
|
39.8
|
1.0
|
CB
|
A:ASN85
|
4.1
|
45.3
|
1.0
|
CA
|
A:ASN85
|
4.1
|
44.1
|
1.0
|
N
|
A:ASN85
|
4.2
|
40.8
|
1.0
|
C
|
D:VAL124
|
4.6
|
34.0
|
1.0
|
O
|
D:HOH402
|
4.6
|
42.2
|
1.0
|
O
|
D:VAL123
|
4.9
|
33.5
|
1.0
|
N
|
A:SER84
|
4.9
|
35.2
|
1.0
|
CZ
|
D:TYR223
|
4.9
|
40.5
|
1.0
|
CA
|
A:SER84
|
4.9
|
34.1
|
1.0
|
NZ
|
D:LYS222
|
4.9
|
82.3
|
1.0
|
CB
|
A:LEU83
|
5.0
|
38.4
|
1.0
|
|
Chlorine binding site 3 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 3 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl250
b:66.5
occ:1.00
|
N
|
A:TYR184
|
3.3
|
34.7
|
1.0
|
O
|
A:HOH888
|
3.4
|
53.3
|
1.0
|
CA
|
A:ALA183
|
3.7
|
31.7
|
1.0
|
O
|
A:TYR184
|
3.9
|
42.9
|
1.0
|
C
|
A:ALA183
|
4.0
|
35.9
|
1.0
|
CB
|
A:ALA183
|
4.1
|
32.8
|
1.0
|
O
|
A:HOH488
|
4.2
|
47.0
|
1.0
|
CD2
|
A:TYR184
|
4.2
|
32.6
|
1.0
|
CA
|
A:TYR184
|
4.2
|
35.4
|
1.0
|
O
|
A:SER98
|
4.3
|
45.6
|
1.0
|
CG2
|
A:VAL100
|
4.3
|
47.5
|
1.0
|
CB
|
A:TYR184
|
4.4
|
34.7
|
1.0
|
C
|
A:TYR184
|
4.5
|
41.7
|
1.0
|
CA
|
A:LEU99
|
4.6
|
40.5
|
1.0
|
O
|
A:ARG182
|
4.7
|
39.8
|
1.0
|
CG
|
A:TYR184
|
4.8
|
33.6
|
1.0
|
N
|
A:VAL100
|
4.8
|
45.1
|
1.0
|
N
|
A:ALA183
|
5.0
|
33.3
|
1.0
|
|
Chlorine binding site 4 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 4 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl262
b:73.3
occ:1.00
|
O
|
A:HOH1205
|
3.0
|
57.7
|
1.0
|
N
|
A:ARG75
|
3.3
|
38.6
|
1.0
|
CA
|
A:ARG74
|
3.8
|
42.5
|
1.0
|
O
|
A:ARG75
|
3.9
|
40.0
|
1.0
|
C
|
A:ARG74
|
4.1
|
42.5
|
1.0
|
CB
|
A:ARG74
|
4.1
|
41.0
|
1.0
|
CB
|
A:ARG75
|
4.1
|
34.4
|
1.0
|
CA
|
A:ARG75
|
4.2
|
35.7
|
1.0
|
O
|
A:HOH319
|
4.3
|
35.8
|
1.0
|
NE
|
A:ARG74
|
4.4
|
52.6
|
1.0
|
CG
|
A:ARG74
|
4.4
|
42.5
|
1.0
|
O
|
A:HOH1446
|
4.5
|
68.1
|
1.0
|
OG1
|
A:THR101
|
4.5
|
62.0
|
1.0
|
NH2
|
A:ARG74
|
4.5
|
47.6
|
1.0
|
C
|
A:ARG75
|
4.5
|
39.7
|
1.0
|
CZ
|
A:ARG74
|
4.5
|
63.3
|
1.0
|
CG2
|
A:THR101
|
4.6
|
48.7
|
1.0
|
O
|
A:SER73
|
4.7
|
52.3
|
1.0
|
N
|
A:ARG74
|
5.0
|
44.6
|
1.0
|
|
Chlorine binding site 5 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 5 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl239
b:71.0
occ:1.00
|
O
|
B:HOH1051
|
3.3
|
60.1
|
1.0
|
OH
|
B:TYR223
|
3.4
|
44.4
|
1.0
|
O
|
C:SER84
|
3.6
|
35.0
|
1.0
|
O
|
B:VAL124
|
3.8
|
34.2
|
1.0
|
CB
|
C:ASN85
|
4.0
|
35.0
|
1.0
|
CA
|
C:ASN85
|
4.1
|
35.9
|
1.0
|
C
|
C:SER84
|
4.1
|
35.0
|
1.0
|
O
|
B:HOH405
|
4.2
|
41.2
|
1.0
|
N
|
C:ASN85
|
4.3
|
32.3
|
1.0
|
O
|
B:HOH1052
|
4.4
|
58.5
|
1.0
|
CZ
|
B:TYR223
|
4.4
|
38.6
|
1.0
|
C
|
B:VAL124
|
4.5
|
34.0
|
1.0
|
O
|
C:HOH335
|
4.6
|
35.5
|
1.0
|
CE1
|
B:TYR223
|
4.6
|
30.0
|
1.0
|
O
|
B:VAL123
|
4.7
|
40.1
|
1.0
|
NZ
|
B:LYS222
|
4.7
|
72.4
|
1.0
|
CA
|
B:SER125
|
4.8
|
29.6
|
1.0
|
O
|
C:HOH644
|
4.9
|
48.0
|
1.0
|
CE
|
B:LYS222
|
4.9
|
66.2
|
1.0
|
N
|
B:SER125
|
4.9
|
30.0
|
1.0
|
|
Chlorine binding site 6 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 6 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl240
b:61.0
occ:1.00
|
OH
|
C:TYR223
|
3.1
|
41.2
|
1.0
|
O
|
B:SER84
|
3.3
|
39.3
|
1.0
|
CA
|
B:ASN85
|
3.8
|
43.7
|
1.0
|
C
|
B:SER84
|
3.8
|
40.3
|
1.0
|
CB
|
B:ASN85
|
3.9
|
48.5
|
1.0
|
O
|
C:VAL124
|
4.0
|
40.6
|
1.0
|
N
|
B:ASN85
|
4.1
|
39.6
|
1.0
|
CZ
|
C:TYR223
|
4.1
|
39.2
|
1.0
|
CE1
|
C:TYR223
|
4.2
|
34.6
|
1.0
|
O
|
C:HOH891
|
4.2
|
55.1
|
1.0
|
O
|
C:HOH1046
|
4.5
|
56.9
|
1.0
|
C
|
C:VAL124
|
4.6
|
36.5
|
1.0
|
NZ
|
C:LYS222
|
4.7
|
85.3
|
1.0
|
CE
|
C:LYS222
|
4.7
|
69.1
|
1.0
|
O
|
C:VAL123
|
4.8
|
31.7
|
1.0
|
CA
|
C:SER125
|
4.8
|
31.4
|
1.0
|
N
|
C:SER125
|
4.9
|
32.0
|
1.0
|
CA
|
B:SER84
|
5.0
|
38.5
|
1.0
|
N
|
B:SER84
|
5.0
|
40.0
|
1.0
|
|
Chlorine binding site 7 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 7 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl251
b:63.8
occ:1.00
|
N
|
B:TYR184
|
3.3
|
32.9
|
1.0
|
CA
|
B:ALA183
|
3.6
|
28.9
|
1.0
|
O
|
B:TYR184
|
3.9
|
37.0
|
1.0
|
CB
|
B:ALA183
|
3.9
|
29.8
|
1.0
|
C
|
B:ALA183
|
4.0
|
32.5
|
1.0
|
O
|
B:HOH747
|
4.1
|
52.2
|
1.0
|
CG2
|
B:VAL100
|
4.3
|
47.1
|
1.0
|
CD2
|
B:TYR184
|
4.3
|
28.9
|
1.0
|
CA
|
B:TYR184
|
4.3
|
32.1
|
1.0
|
C
|
B:TYR184
|
4.6
|
35.8
|
1.0
|
CB
|
B:TYR184
|
4.6
|
31.8
|
1.0
|
O
|
B:SER98
|
4.6
|
42.2
|
1.0
|
O
|
B:ARG182
|
4.7
|
39.7
|
1.0
|
CA
|
B:LEU99
|
4.7
|
38.3
|
1.0
|
N
|
B:VAL100
|
4.8
|
42.6
|
1.0
|
N
|
B:ALA183
|
4.9
|
31.1
|
1.0
|
CG
|
B:TYR184
|
4.9
|
30.1
|
1.0
|
|
Chlorine binding site 8 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 8 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl263
b:78.4
occ:1.00
|
N
|
B:ARG75
|
3.2
|
42.5
|
1.0
|
O
|
B:HOH1084
|
3.8
|
54.8
|
1.0
|
CB
|
B:ARG75
|
3.8
|
41.3
|
1.0
|
CA
|
B:ARG74
|
3.9
|
46.8
|
1.0
|
O
|
B:ARG75
|
3.9
|
40.5
|
1.0
|
CA
|
B:ARG75
|
4.0
|
40.0
|
1.0
|
C
|
B:ARG74
|
4.1
|
49.9
|
1.0
|
CB
|
B:ARG74
|
4.3
|
44.0
|
1.0
|
O
|
B:HOH470
|
4.3
|
40.2
|
1.0
|
OG1
|
B:THR101
|
4.4
|
58.3
|
1.0
|
C
|
B:ARG75
|
4.5
|
40.7
|
1.0
|
CG2
|
B:THR101
|
4.5
|
50.0
|
1.0
|
NE
|
B:ARG74
|
4.7
|
63.5
|
1.0
|
CG
|
B:ARG74
|
4.7
|
49.9
|
1.0
|
O
|
B:SER73
|
4.7
|
57.6
|
1.0
|
NH2
|
B:ARG74
|
4.8
|
51.8
|
1.0
|
CZ
|
B:ARG74
|
4.8
|
63.9
|
1.0
|
|
Chlorine binding site 9 out
of 41 in 3qwn
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Chlorine Binding Sites List in 3qwn
Chlorine binding site 9 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl259
b:67.0
occ:1.00
|
N
|
C:TYR184
|
3.1
|
25.7
|
1.0
|
O
|
C:TYR184
|
3.7
|
27.3
|
1.0
|
CA
|
C:ALA183
|
3.8
|
23.7
|
1.0
|
C
|
C:ALA183
|
3.9
|
28.4
|
1.0
|
CA
|
C:TYR184
|
4.0
|
25.4
|
1.0
|
CB
|
C:TYR184
|
4.0
|
26.3
|
1.0
|
CD2
|
C:TYR184
|
4.0
|
28.3
|
1.0
|
CG2
|
C:VAL100
|
4.1
|
33.3
|
1.0
|
C
|
C:TYR184
|
4.3
|
27.9
|
1.0
|
CB
|
C:ALA183
|
4.3
|
23.4
|
1.0
|
O
|
C:SER98
|
4.4
|
37.4
|
1.0
|
CA
|
C:LEU99
|
4.5
|
36.5
|
1.0
|
CG
|
C:TYR184
|
4.5
|
27.1
|
1.0
|
N
|
C:VAL100
|
4.8
|
32.7
|
1.0
|
O
|
C:ARG182
|
4.8
|
35.9
|
1.0
|
C
|
C:LEU99
|
5.0
|
37.7
|
1.0
|
|
Chlorine binding site 10 out
of 41 in 3qwn
Go back to
Chlorine Binding Sites List in 3qwn
Chlorine binding site 10 out
of 41 in the Crystal Structure of A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 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 A Nigd-Like Immunity Protein (BACCAC_03262) From Bacteroides Caccae Atcc 43185 at 2.42 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl264
b:65.5
occ:1.00
|
N
|
C:ARG75
|
3.1
|
26.2
|
1.0
|
O
|
C:HOH889
|
3.3
|
50.7
|
1.0
|
CA
|
C:ARG74
|
3.7
|
29.5
|
1.0
|
CB
|
C:ARG75
|
3.8
|
26.4
|
1.0
|
C
|
C:ARG74
|
3.9
|
29.9
|
1.0
|
CA
|
C:ARG75
|
4.0
|
26.4
|
1.0
|
O
|
C:ARG75
|
4.1
|
27.6
|
1.0
|
CB
|
C:ARG74
|
4.1
|
29.2
|
1.0
|
O
|
C:HOH1079
|
4.3
|
58.4
|
1.0
|
CG2
|
C:THR101
|
4.3
|
29.2
|
1.0
|
O
|
C:SER73
|
4.4
|
36.7
|
1.0
|
OG1
|
C:THR101
|
4.4
|
44.3
|
1.0
|
CG
|
C:ARG74
|
4.4
|
40.3
|
1.0
|
O
|
C:HOH307
|
4.5
|
30.9
|
1.0
|
NE
|
C:ARG74
|
4.5
|
62.2
|
1.0
|
C
|
C:ARG75
|
4.6
|
29.1
|
1.0
|
CZ
|
C:ARG74
|
4.6
|
65.2
|
1.0
|
O
|
C:HOH783
|
4.6
|
55.3
|
1.0
|
NH2
|
C:ARG74
|
4.6
|
50.6
|
1.0
|
N
|
C:ARG74
|
4.8
|
31.4
|
1.0
|
CB
|
C:THR101
|
4.8
|
40.1
|
1.0
|
OH
|
C:TYR132
|
4.9
|
44.7
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 03:16:48 2024
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