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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:

Potassium (K) 2 atoms

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 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 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 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 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 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 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 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 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 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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