Chlorine in PDB 1rb6: Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Protein crystallography data
The structure of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form, PDB code: 1rb6
was solved by
J.Holton,
T.Alber,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
15.00 /
1.90
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.947,
64.947,
78.012,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.3 /
24.1
|
Other elements in 1rb6:
The structure of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
(pdb code 1rb6). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form, PDB code: 1rb6:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 1 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl806
b:65.9
occ:1.00
|
NZ
|
B:LYS27
|
3.0
|
35.6
|
0.5
|
NH2
|
A:ARG25
|
3.0
|
43.3
|
1.0
|
NE
|
A:ARG25
|
3.0
|
42.8
|
1.0
|
O
|
A:HOH947
|
3.3
|
36.3
|
1.0
|
O
|
B:HOH942
|
3.3
|
45.1
|
1.0
|
CZ
|
A:ARG25
|
3.4
|
44.2
|
1.0
|
CE
|
B:LYS27
|
3.4
|
35.6
|
0.5
|
CG
|
A:GLU22
|
3.8
|
26.0
|
1.0
|
CD
|
A:ARG25
|
4.1
|
39.0
|
1.0
|
OE1
|
A:GLU22
|
4.3
|
31.2
|
1.0
|
CB
|
A:GLU22
|
4.4
|
25.1
|
1.0
|
CA
|
A:GLU22
|
4.4
|
24.2
|
1.0
|
CD
|
B:LYS27
|
4.6
|
35.7
|
0.5
|
CD
|
A:GLU22
|
4.6
|
29.1
|
1.0
|
NH1
|
A:ARG25
|
4.7
|
47.7
|
1.0
|
CB
|
A:ARG25
|
4.8
|
28.0
|
1.0
|
CG
|
A:ARG25
|
4.9
|
34.1
|
1.0
|
O
|
B:HOH938
|
4.9
|
44.3
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 2 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl808
b:50.1
occ:1.00
|
SD
|
B:MET2
|
3.8
|
32.7
|
0.3
|
NH2
|
A:ARG1
|
4.0
|
34.0
|
1.0
|
CD
|
A:ARG1
|
4.0
|
33.6
|
1.0
|
CB
|
A:ARG1
|
4.2
|
33.0
|
1.0
|
CE
|
B:MET2
|
4.3
|
32.4
|
0.5
|
O
|
A:HOH920
|
4.5
|
31.9
|
1.0
|
CE
|
B:MET2
|
4.5
|
32.4
|
0.5
|
CG
|
A:ARG1
|
4.7
|
33.3
|
1.0
|
CZ
|
A:ARG1
|
4.8
|
34.1
|
1.0
|
NE
|
A:ARG1
|
4.9
|
34.2
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 3 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl810
b:44.7
occ:1.00
|
OE1
|
A:GLU10
|
3.3
|
28.6
|
1.0
|
CD
|
A:GLU10
|
3.6
|
27.4
|
1.0
|
CG
|
A:GLU10
|
3.9
|
25.9
|
1.0
|
OE2
|
A:GLU10
|
4.4
|
29.5
|
1.0
|
O
|
A:HOH936
|
4.5
|
45.8
|
1.0
|
CB
|
A:GLU10
|
4.6
|
21.7
|
1.0
|
O
|
A:HOH938
|
4.7
|
39.0
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 4 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:22.7
occ:0.50
|
CL
|
B:CL803
|
0.0
|
22.7
|
0.5
|
CL
|
B:CL803
|
1.3
|
27.6
|
0.5
|
O
|
C:HOH904
|
3.0
|
27.3
|
1.0
|
NZ
|
C:LYS15
|
3.2
|
25.6
|
1.0
|
NZ
|
B:LYS15
|
3.4
|
33.9
|
1.0
|
OE2
|
C:GLU11
|
3.4
|
37.0
|
1.0
|
CD
|
C:GLU11
|
3.5
|
33.9
|
1.0
|
O
|
B:HOH902
|
3.6
|
25.8
|
0.5
|
CD
|
B:LYS15
|
3.8
|
28.5
|
1.0
|
OE1
|
C:GLU11
|
3.9
|
35.5
|
1.0
|
CG
|
C:GLU11
|
4.0
|
28.7
|
1.0
|
CD
|
C:LYS15
|
4.0
|
21.5
|
1.0
|
CE
|
C:LYS15
|
4.0
|
24.2
|
1.0
|
CE
|
B:LYS15
|
4.2
|
30.5
|
1.0
|
CL
|
B:CL811
|
4.3
|
30.6
|
1.0
|
CB
|
C:GLU11
|
4.7
|
22.3
|
1.0
|
O
|
B:HOH902
|
4.9
|
18.8
|
0.5
|
|
Chlorine binding site 5 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 5 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:27.6
occ:0.50
|
CL
|
B:CL803
|
0.0
|
27.6
|
0.5
|
CL
|
B:CL803
|
1.3
|
22.7
|
0.5
|
O
|
C:HOH904
|
2.9
|
27.3
|
1.0
|
O
|
B:HOH902
|
3.4
|
25.8
|
0.5
|
CD
|
B:LYS15
|
3.5
|
28.5
|
1.0
|
NZ
|
C:LYS15
|
3.5
|
25.6
|
1.0
|
CD
|
C:LYS15
|
3.5
|
21.5
|
1.0
|
NZ
|
B:LYS15
|
3.6
|
33.9
|
1.0
|
CD2
|
B:LEU12
|
4.0
|
15.9
|
1.0
|
CE
|
C:LYS15
|
4.0
|
24.2
|
1.0
|
CE
|
B:LYS15
|
4.2
|
30.5
|
1.0
|
CG
|
C:GLU11
|
4.3
|
28.7
|
1.0
|
CD
|
C:GLU11
|
4.3
|
33.9
|
1.0
|
OE2
|
C:GLU11
|
4.3
|
37.0
|
1.0
|
CA
|
C:LEU12
|
4.5
|
16.2
|
1.0
|
N
|
C:LEU12
|
4.6
|
15.1
|
1.0
|
CL
|
B:CL811
|
4.6
|
30.6
|
1.0
|
CD1
|
C:LEU12
|
4.7
|
14.6
|
1.0
|
CG
|
B:LYS15
|
4.7
|
24.1
|
1.0
|
CB
|
B:LYS15
|
4.7
|
21.4
|
1.0
|
CG
|
C:LYS15
|
4.7
|
19.1
|
1.0
|
OE1
|
C:GLU11
|
4.8
|
35.5
|
1.0
|
C
|
C:GLU11
|
4.8
|
19.6
|
1.0
|
O
|
B:HOH902
|
4.9
|
18.8
|
0.5
|
CB
|
C:LEU12
|
4.9
|
14.3
|
1.0
|
CB
|
C:GLU11
|
4.9
|
22.3
|
1.0
|
O
|
C:GLU11
|
4.9
|
18.2
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 6 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl804
b:28.9
occ:1.00
|
OE2
|
B:GLU20
|
1.8
|
28.0
|
0.0
|
CD
|
B:GLU20
|
2.6
|
27.5
|
0.0
|
O
|
B:HOH934
|
3.0
|
43.2
|
1.0
|
OE1
|
B:GLU20
|
3.1
|
28.0
|
0.0
|
CE
|
A:LYS15
|
3.3
|
17.0
|
0.5
|
O
|
B:HOH903
|
3.6
|
33.1
|
0.5
|
NZ
|
A:LYS15
|
3.7
|
18.6
|
0.5
|
CG
|
B:GLU20
|
3.8
|
28.9
|
1.0
|
CB
|
B:GLU20
|
3.9
|
21.7
|
1.0
|
CD1
|
B:TYR17
|
3.9
|
23.3
|
1.0
|
CA
|
B:TYR17
|
4.0
|
19.1
|
1.0
|
NZ
|
A:LYS15
|
4.1
|
18.8
|
0.5
|
CE
|
A:LYS15
|
4.3
|
17.4
|
0.5
|
CD
|
A:LYS15
|
4.4
|
19.4
|
1.0
|
O
|
A:HOH910
|
4.5
|
19.7
|
1.0
|
CB
|
B:TYR17
|
4.5
|
18.8
|
1.0
|
O
|
B:HOH924
|
4.6
|
40.2
|
1.0
|
N
|
B:TYR17
|
4.6
|
17.3
|
1.0
|
CG
|
B:TYR17
|
4.7
|
22.4
|
1.0
|
O
|
B:TYR17
|
4.7
|
18.2
|
1.0
|
O
|
B:ALA16
|
4.8
|
19.7
|
1.0
|
CE1
|
B:TYR17
|
4.8
|
26.6
|
1.0
|
O
|
A:HOH957
|
4.9
|
55.2
|
1.0
|
C
|
B:TYR17
|
4.9
|
18.3
|
1.0
|
C
|
B:ALA16
|
5.0
|
17.8
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 7 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl805
b:40.6
occ:1.00
|
O
|
C:HOH908
|
2.9
|
22.3
|
1.0
|
O
|
C:HOH925
|
3.1
|
59.9
|
1.0
|
NZ
|
B:LYS8
|
3.2
|
22.1
|
1.0
|
O
|
C:HOH918
|
3.2
|
34.0
|
1.0
|
CD
|
C:LYS15
|
3.6
|
21.5
|
1.0
|
CE
|
B:LYS8
|
3.6
|
20.1
|
1.0
|
CG
|
C:LYS15
|
3.7
|
19.1
|
1.0
|
CE
|
C:LYS15
|
3.7
|
24.2
|
1.0
|
O
|
B:HOH902
|
3.9
|
18.8
|
0.5
|
CD
|
B:LYS8
|
4.0
|
16.3
|
1.0
|
CB
|
C:LYS15
|
4.3
|
16.5
|
1.0
|
NZ
|
C:LYS15
|
4.5
|
25.6
|
1.0
|
O
|
B:HOH902
|
4.6
|
25.8
|
0.5
|
O
|
B:HOH935
|
4.7
|
61.9
|
1.0
|
CG
|
B:LYS8
|
4.8
|
18.7
|
1.0
|
K
|
C:K801
|
4.9
|
31.0
|
1.0
|
CA
|
C:LYS15
|
5.0
|
16.7
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 8 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl809
b:45.9
occ:1.00
|
O
|
B:HOH907
|
2.8
|
33.8
|
1.0
|
ND1
|
B:HIS18
|
3.2
|
23.5
|
1.0
|
ND2
|
B:ASN21
|
3.5
|
31.0
|
1.0
|
NH2
|
B:ARG25
|
3.6
|
39.4
|
1.0
|
CB
|
B:ASN21
|
3.7
|
24.3
|
1.0
|
CE1
|
B:HIS18
|
4.1
|
20.8
|
1.0
|
CG
|
B:HIS18
|
4.1
|
21.0
|
1.0
|
CG
|
B:ASN21
|
4.1
|
27.8
|
1.0
|
NH1
|
B:ARG25
|
4.2
|
37.3
|
1.0
|
CB
|
B:HIS18
|
4.2
|
19.1
|
1.0
|
O
|
B:HIS18
|
4.3
|
18.1
|
1.0
|
CA
|
B:HIS18
|
4.3
|
17.9
|
1.0
|
CZ
|
B:ARG25
|
4.4
|
38.0
|
1.0
|
C
|
B:HIS18
|
4.8
|
19.0
|
1.0
|
O
|
B:HOH906
|
5.0
|
40.6
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 1rb6
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Chlorine Binding Sites List in 1rb6
Chlorine binding site 9 out
of 9 in the Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Antiparallel Trimer of GCN4-Leucine Zipper Core Mutant As N16A Tetragonal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl811
b:30.6
occ:1.00
|
O
|
C:HOH904
|
2.9
|
27.3
|
1.0
|
O
|
B:HOH917
|
3.0
|
24.9
|
1.0
|
O
|
C:HOH937
|
3.5
|
66.8
|
1.0
|
CD
|
C:LYS8
|
3.9
|
24.5
|
0.0
|
CB
|
B:LYS15
|
4.0
|
21.4
|
1.0
|
CB
|
C:LYS8
|
4.1
|
21.7
|
1.0
|
CD1
|
B:LEU19
|
4.1
|
18.6
|
1.0
|
CG
|
B:LYS15
|
4.1
|
24.1
|
1.0
|
CD
|
B:LYS15
|
4.2
|
28.5
|
1.0
|
CG
|
C:LYS8
|
4.2
|
25.2
|
1.0
|
CD2
|
B:LEU19
|
4.2
|
16.8
|
1.0
|
CG
|
B:LEU19
|
4.2
|
18.2
|
1.0
|
CL
|
B:CL803
|
4.3
|
22.7
|
0.5
|
CL
|
B:CL803
|
4.6
|
27.6
|
0.5
|
O
|
B:HOH905
|
4.7
|
32.0
|
1.0
|
CE
|
B:LYS15
|
4.7
|
30.5
|
1.0
|
CE
|
C:LYS8
|
4.8
|
24.7
|
0.0
|
CA
|
B:LYS15
|
4.8
|
20.0
|
1.0
|
O
|
B:LYS15
|
4.9
|
16.6
|
1.0
|
O
|
B:HOH912
|
4.9
|
24.4
|
1.0
|
|
Reference:
J.Holton,
T.Alber.
Automated Protein Crystal Structure Determination Using Elves. Proc.Natl.Acad.Sci.Usa V. 101 1537 2004.
ISSN: ISSN 0027-8424
PubMed: 14752198
DOI: 10.1073/PNAS.0306241101
Page generated: Sat Jul 20 01:52:24 2024
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