Chlorine in PDB 5app: Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Protein crystallography data
The structure of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors, PDB code: 5app
was solved by
M.D.Hartmann,
O.Ridderbusch,
A.N.Lupas,
B.Hernandez Alvarez,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
32.90 /
2.30
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.130,
35.860,
198.510,
90.00,
96.02,
90.00
|
R / Rfree (%)
|
22.5 /
25.4
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
(pdb code 5app). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors, PDB code: 5app:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 5app
Go back to
Chlorine Binding Sites List in 5app
Chlorine binding site 1 out
of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1232
b:44.8
occ:1.00
|
ND2
|
A:ASN142
|
3.0
|
45.2
|
1.0
|
ND2
|
C:ASN142
|
3.2
|
44.9
|
1.0
|
CB
|
C:SER139
|
3.4
|
46.5
|
1.0
|
ND2
|
B:ASN142
|
3.5
|
45.2
|
1.0
|
CA
|
C:SER139
|
3.5
|
47.6
|
1.0
|
CB
|
A:SER139
|
3.5
|
43.2
|
1.0
|
CB
|
B:SER139
|
3.6
|
43.5
|
1.0
|
CA
|
B:SER139
|
3.6
|
43.5
|
1.0
|
CA
|
A:SER139
|
3.7
|
43.0
|
1.0
|
CB
|
A:ASN142
|
3.8
|
45.2
|
1.0
|
CG
|
A:ASN142
|
3.9
|
46.2
|
1.0
|
CB
|
C:ASN142
|
4.0
|
44.4
|
1.0
|
CB
|
B:ASN142
|
4.0
|
44.2
|
1.0
|
CG
|
C:ASN142
|
4.1
|
44.3
|
1.0
|
O
|
C:SER139
|
4.2
|
47.2
|
1.0
|
CG
|
B:ASN142
|
4.3
|
44.1
|
1.0
|
C
|
C:SER139
|
4.4
|
50.2
|
1.0
|
O
|
B:SER139
|
4.4
|
41.2
|
1.0
|
N
|
C:SER139
|
4.4
|
45.9
|
1.0
|
C
|
B:SER139
|
4.5
|
44.3
|
1.0
|
O
|
A:SER139
|
4.6
|
44.2
|
1.0
|
N
|
B:SER139
|
4.6
|
44.0
|
1.0
|
N
|
A:SER139
|
4.6
|
42.2
|
1.0
|
C
|
A:SER139
|
4.7
|
45.1
|
1.0
|
OG
|
C:SER139
|
4.7
|
52.1
|
1.0
|
OG
|
A:SER139
|
4.8
|
48.1
|
1.0
|
O
|
A:ARG138
|
4.9
|
45.1
|
1.0
|
OG
|
B:SER139
|
5.0
|
45.7
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 5app
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Chlorine Binding Sites List in 5app
Chlorine binding site 2 out
of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1233
b:44.8
occ:1.00
|
ND2
|
C:ASN156
|
2.9
|
53.4
|
1.0
|
ND2
|
A:ASN156
|
3.0
|
48.5
|
1.0
|
ND2
|
B:ASN156
|
3.1
|
52.2
|
1.0
|
CB
|
A:ASN156
|
3.7
|
51.9
|
1.0
|
CB
|
B:ASN156
|
3.7
|
54.5
|
1.0
|
CB
|
C:ASN156
|
3.7
|
54.9
|
1.0
|
CG
|
C:ASN156
|
3.7
|
54.5
|
1.0
|
CG
|
A:ASN156
|
3.8
|
49.3
|
1.0
|
CG
|
B:ASN156
|
3.9
|
52.7
|
1.0
|
CA
|
A:ILE153
|
4.0
|
50.3
|
1.0
|
CG1
|
C:ILE153
|
4.0
|
55.0
|
1.0
|
CA
|
B:ILE153
|
4.0
|
53.7
|
1.0
|
CG1
|
B:ILE153
|
4.1
|
54.2
|
1.0
|
CG1
|
A:ILE153
|
4.1
|
50.1
|
1.0
|
CG2
|
B:ILE153
|
4.3
|
54.5
|
1.0
|
CG2
|
A:ILE153
|
4.4
|
48.6
|
1.0
|
O
|
B:ILE153
|
4.4
|
57.0
|
1.0
|
CB
|
B:ILE153
|
4.4
|
54.5
|
1.0
|
CB
|
A:ILE153
|
4.4
|
50.3
|
1.0
|
CA
|
C:ILE153
|
4.4
|
54.3
|
1.0
|
CG2
|
C:ILE153
|
4.4
|
55.5
|
1.0
|
CB
|
C:ILE153
|
4.5
|
54.1
|
1.0
|
O
|
A:ILE153
|
4.6
|
55.4
|
1.0
|
C
|
B:ILE153
|
4.7
|
56.0
|
1.0
|
C
|
A:ILE153
|
4.8
|
54.1
|
1.0
|
N
|
A:ILE153
|
4.9
|
52.4
|
1.0
|
O
|
B:LYS152
|
4.9
|
58.1
|
1.0
|
OD1
|
C:ASN156
|
4.9
|
53.8
|
1.0
|
N
|
B:ILE153
|
5.0
|
55.3
|
1.0
|
OD1
|
A:ASN156
|
5.0
|
51.5
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 5app
Go back to
Chlorine Binding Sites List in 5app
Chlorine binding site 3 out
of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1232
b:60.2
occ:1.00
|
ND2
|
B:ASN179
|
2.9
|
71.0
|
1.0
|
ND2
|
A:ASN179
|
3.5
|
64.8
|
1.0
|
CG
|
B:ASN179
|
3.6
|
70.8
|
1.0
|
ND2
|
C:ASN179
|
3.7
|
71.7
|
1.0
|
CB
|
C:ASN179
|
3.7
|
70.3
|
1.0
|
CB
|
B:ASN179
|
3.7
|
71.5
|
1.0
|
CA
|
C:ILE176
|
3.9
|
77.7
|
1.0
|
CG1
|
C:ILE176
|
4.0
|
75.8
|
1.0
|
CG
|
C:ASN179
|
4.1
|
70.7
|
1.0
|
O
|
C:ILE176
|
4.2
|
78.7
|
1.0
|
CB
|
A:ASN179
|
4.2
|
65.1
|
1.0
|
CA
|
B:ILE176
|
4.2
|
63.2
|
1.0
|
CG1
|
B:ILE176
|
4.2
|
62.7
|
1.0
|
CB
|
C:ILE176
|
4.3
|
77.0
|
1.0
|
CG2
|
C:ILE176
|
4.3
|
77.5
|
1.0
|
CG
|
A:ASN179
|
4.3
|
64.4
|
1.0
|
CG1
|
A:ILE176
|
4.4
|
66.8
|
1.0
|
C
|
C:ILE176
|
4.5
|
79.4
|
1.0
|
O
|
C:ASP175
|
4.6
|
77.6
|
1.0
|
CB
|
B:ILE176
|
4.6
|
62.6
|
1.0
|
CG2
|
B:ILE176
|
4.7
|
62.6
|
1.0
|
OD1
|
B:ASN179
|
4.7
|
72.9
|
1.0
|
O
|
B:ILE176
|
4.7
|
65.9
|
1.0
|
N
|
C:ILE176
|
4.8
|
77.8
|
1.0
|
CA
|
A:ILE176
|
4.9
|
67.5
|
1.0
|
CA
|
C:ASN179
|
5.0
|
70.7
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 5app
Go back to
Chlorine Binding Sites List in 5app
Chlorine binding site 4 out
of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1232
b:44.2
occ:1.00
|
ND2
|
C:ASN149
|
3.2
|
47.7
|
1.0
|
ND2
|
A:ASN149
|
3.2
|
46.2
|
1.0
|
CB
|
A:SER146
|
3.5
|
45.9
|
1.0
|
CA
|
A:SER146
|
3.5
|
44.7
|
1.0
|
CB
|
C:SER146
|
3.6
|
47.6
|
1.0
|
CB
|
B:SER146
|
3.7
|
49.6
|
1.0
|
CA
|
C:SER146
|
3.8
|
46.7
|
1.0
|
ND2
|
B:ASN149
|
3.8
|
43.7
|
1.0
|
CB
|
A:ASN149
|
3.9
|
42.7
|
1.0
|
CA
|
B:SER146
|
3.9
|
48.7
|
1.0
|
CB
|
C:ASN149
|
3.9
|
45.9
|
1.0
|
CG
|
C:ASN149
|
4.0
|
46.0
|
1.0
|
CG
|
A:ASN149
|
4.1
|
41.7
|
1.0
|
O
|
A:SER146
|
4.2
|
45.6
|
1.0
|
CB
|
B:ASN149
|
4.4
|
43.4
|
1.0
|
C
|
A:SER146
|
4.4
|
48.4
|
1.0
|
N
|
A:SER146
|
4.5
|
42.2
|
1.0
|
O
|
C:ARG145
|
4.6
|
46.1
|
1.0
|
CG
|
B:ASN149
|
4.6
|
42.9
|
1.0
|
N
|
C:SER146
|
4.6
|
45.1
|
1.0
|
O
|
B:SER146
|
4.6
|
48.8
|
1.0
|
O
|
C:SER146
|
4.7
|
48.2
|
1.0
|
C
|
C:SER146
|
4.8
|
49.6
|
1.0
|
C
|
B:SER146
|
4.8
|
49.7
|
1.0
|
N
|
B:SER146
|
4.9
|
49.0
|
1.0
|
OG
|
A:SER146
|
4.9
|
48.1
|
1.0
|
OG
|
C:SER146
|
4.9
|
47.6
|
1.0
|
O
|
A:ARG145
|
4.9
|
44.7
|
1.0
|
C
|
C:ARG145
|
4.9
|
45.9
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 5app
Go back to
Chlorine Binding Sites List in 5app
Chlorine binding site 5 out
of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1233
b:61.9
occ:1.00
|
ND2
|
B:ASN172
|
2.9
|
57.8
|
1.0
|
ND2
|
C:ASN172
|
2.9
|
63.4
|
1.0
|
ND2
|
A:ASN172
|
3.0
|
58.9
|
1.0
|
CB
|
C:ASN172
|
3.4
|
66.5
|
1.0
|
CG1
|
C:VAL169
|
3.5
|
60.6
|
1.0
|
CG
|
C:ASN172
|
3.6
|
64.7
|
1.0
|
CG2
|
C:VAL169
|
3.7
|
56.8
|
1.0
|
CA
|
C:VAL169
|
3.7
|
59.8
|
1.0
|
CB
|
A:ASN172
|
3.8
|
60.0
|
1.0
|
CB
|
C:VAL169
|
3.8
|
58.8
|
1.0
|
CG
|
B:ASN172
|
3.8
|
57.9
|
1.0
|
CB
|
B:ASN172
|
3.9
|
61.2
|
1.0
|
CG
|
A:ASN172
|
3.9
|
59.8
|
1.0
|
CG1
|
A:VAL169
|
4.1
|
65.4
|
1.0
|
CG2
|
B:VAL169
|
4.2
|
59.9
|
1.0
|
O
|
C:VAL169
|
4.2
|
65.0
|
1.0
|
CG2
|
A:VAL169
|
4.3
|
64.1
|
1.0
|
CA
|
B:VAL169
|
4.5
|
62.2
|
1.0
|
C
|
C:VAL169
|
4.5
|
64.0
|
1.0
|
CA
|
A:VAL169
|
4.5
|
63.6
|
1.0
|
CB
|
A:VAL169
|
4.5
|
63.6
|
1.0
|
CB
|
B:VAL169
|
4.7
|
60.1
|
1.0
|
CG1
|
B:VAL169
|
4.7
|
63.0
|
1.0
|
N
|
C:VAL169
|
4.8
|
59.2
|
1.0
|
O
|
C:ASP168
|
4.8
|
59.9
|
1.0
|
OD1
|
C:ASN172
|
4.8
|
65.2
|
1.0
|
CA
|
C:ASN172
|
4.8
|
68.8
|
1.0
|
O
|
A:VAL169
|
4.9
|
67.3
|
1.0
|
OD1
|
B:ASN172
|
4.9
|
54.8
|
1.0
|
O
|
B:VAL169
|
5.0
|
67.7
|
1.0
|
|
Reference:
M.D.Hartmann,
C.T.Mendler,
J.Bassler,
I.Karamichali,
O.Ridderbusch,
A.N.Lupas,
B.Hernandez Alvarez.
Alpha / Beta Coiled Coils. Elife V. 5 2016.
ISSN: ESSN 2050-084X
PubMed: 26771248
DOI: 10.7554/ELIFE.11861
Page generated: Fri Jul 26 05:23:01 2024
|