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Chlorine in PDB 1qvn: Structure of SP4160 Bound to Il-2 V69A

Protein crystallography data

The structure of Structure of SP4160 Bound to Il-2 V69A, PDB code: 1qvn was solved by C.D.Thanos, W.L.Delano, J.A.Wells, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.514, 85.134, 122.141, 90.00, 90.00, 90.00
R / Rfree (%) 25.8 / 30.8

Other elements in 1qvn:

The structure of Structure of SP4160 Bound to Il-2 V69A also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of SP4160 Bound to Il-2 V69A (pdb code 1qvn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of SP4160 Bound to Il-2 V69A, PDB code: 1qvn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1qvn

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Chlorine binding site 1 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:0.8
occ:1.00
CL10 A:FRI201 0.0 0.8 1.0
C34 A:FRI201 1.8 0.5 1.0
C33 A:FRI201 2.7 0.7 1.0
C11 A:FRI201 2.8 0.1 1.0
C13 A:FRI201 3.0 90.0 1.0
O A:ARG38 3.1 67.2 1.0
CL9 A:FRI201 3.1 0.0 1.0
C14 A:FRI201 3.2 94.3 1.0
CD1 A:LEU72 3.5 75.2 1.0
CD2 A:PHE42 3.8 57.7 1.0
C A:ARG38 3.8 67.8 1.0
CA A:MET39 3.9 66.8 1.0
CB A:PHE42 4.0 56.5 1.0
C20 A:FRI201 4.0 0.5 1.0
C23 A:FRI201 4.1 85.9 1.0
C15 A:FRI201 4.1 0.1 1.0
N A:MET39 4.2 67.5 1.0
CG A:PHE42 4.4 56.8 1.0
N6 A:FRI201 4.5 91.4 1.0
CB A:LEU72 4.5 78.0 1.0
O A:MET39 4.5 63.7 1.0
C17 A:FRI201 4.6 0.8 1.0
CG A:LEU72 4.6 77.1 1.0
C A:MET39 4.6 63.8 1.0
C19 A:FRI201 4.8 82.9 1.0
N A:PHE42 4.8 59.5 1.0
C21 A:FRI201 4.8 85.5 1.0
C39 A:FRI201 4.8 81.5 1.0
OG1 A:THR41 4.8 63.8 1.0
CE2 A:PHE42 4.9 57.6 1.0
N8 A:FRI201 4.9 85.4 1.0
CA A:PHE42 4.9 58.8 1.0
CB A:MET39 4.9 69.1 1.0
CB A:ARG38 4.9 70.4 1.0
CA A:ARG38 5.0 69.6 1.0

Chlorine binding site 2 out of 8 in 1qvn

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Chlorine binding site 2 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:0.0
occ:1.00
CL9 A:FRI201 0.0 0.0 1.0
C33 A:FRI201 1.8 0.7 1.0
C34 A:FRI201 2.7 0.5 1.0
C20 A:FRI201 2.8 0.5 1.0
O45 A:FRI201 3.0 0.5 1.0
CL10 A:FRI201 3.1 0.8 1.0
SD A:MET39 3.2 76.4 1.0
CE A:MET39 3.4 73.8 1.0
CB A:ALA73 3.6 88.4 1.0
O A:ALA69 3.7 64.3 1.0
CB A:MET39 3.8 69.1 1.0
CA A:MET39 3.8 66.8 1.0
CG A:MET39 3.9 71.3 1.0
N A:ALA73 4.0 86.1 1.0
C11 A:FRI201 4.0 0.1 1.0
C17 A:FRI201 4.1 0.8 1.0
CB A:LEU72 4.1 78.0 1.0
CA A:ALA73 4.2 90.0 1.0
N A:MET39 4.2 67.5 1.0
C A:LEU72 4.4 83.5 1.0
C40 A:FRI201 4.4 0.4 1.0
C15 A:FRI201 4.6 0.1 1.0
C A:ARG38 4.7 67.8 1.0
O A:ARG38 4.7 67.2 1.0
O A:LEU72 4.8 85.7 1.0
C A:ALA69 4.8 63.9 1.0
CD1 A:LEU72 4.8 75.2 1.0
CA A:LEU72 4.9 79.6 1.0
C16 A:FRI201 4.9 0.0 1.0

Chlorine binding site 3 out of 8 in 1qvn

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Chlorine binding site 3 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:61.0
occ:1.00
CL10 B:FRI301 0.0 61.0 1.0
C34 B:FRI301 1.8 66.2 1.0
C33 B:FRI301 2.7 72.9 1.0
C11 B:FRI301 2.8 67.6 1.0
CL9 B:FRI301 3.2 81.5 1.0
C14 B:FRI301 3.3 66.0 1.0
C13 B:FRI301 3.3 63.5 1.0
CD1 B:LEU72 3.5 62.3 1.0
CB B:LEU72 3.6 62.8 1.0
CE B:MET39 3.6 58.1 1.0
O B:ALA69 3.8 53.9 1.0
CD2 B:PHE42 4.0 50.1 1.0
C20 B:FRI301 4.0 78.0 1.0
C15 B:FRI301 4.1 73.5 1.0
CG B:LEU72 4.1 63.1 1.0
O B:ARG38 4.2 52.5 1.0
CA B:MET39 4.3 53.1 1.0
C23 B:FRI301 4.3 65.7 1.0
CA B:ALA69 4.4 53.1 1.0
CB B:PHE42 4.5 49.5 1.0
N6 B:FRI301 4.5 69.4 1.0
C B:ALA69 4.6 52.9 1.0
C17 B:FRI301 4.6 77.9 1.0
CG B:PHE42 4.7 49.9 1.0
C B:ARG38 4.7 52.7 1.0
CA B:LEU72 4.8 63.5 1.0
CB B:ALA69 4.8 52.7 1.0
N B:MET39 4.8 52.3 1.0
C B:LEU72 4.8 66.1 1.0
SD B:MET39 4.8 59.3 1.0
O B:MET39 4.8 52.5 1.0
CE2 B:PHE42 4.9 49.9 1.0
N8 B:FRI301 5.0 70.2 1.0

Chlorine binding site 4 out of 8 in 1qvn

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Chlorine binding site 4 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:81.5
occ:1.00
CL9 B:FRI301 0.0 81.5 1.0
C33 B:FRI301 1.8 72.9 1.0
C20 B:FRI301 2.7 78.0 1.0
C34 B:FRI301 2.8 66.2 1.0
O45 B:FRI301 2.9 0.2 1.0
CB B:ALA73 2.9 73.8 1.0
CL10 B:FRI301 3.2 61.0 1.0
CE B:MET39 3.4 58.1 1.0
CA B:ALA73 3.5 74.0 1.0
SD B:MET39 3.5 59.3 1.0
N B:ALA73 3.7 69.7 1.0
O B:LEU72 3.8 66.9 1.0
C B:LEU72 3.8 66.1 1.0
CB B:MET39 4.0 54.6 1.0
C17 B:FRI301 4.0 77.9 1.0
O B:ALA69 4.0 53.9 1.0
C11 B:FRI301 4.1 67.6 1.0
CA B:MET39 4.1 53.1 1.0
C40 B:FRI301 4.1 1.0 1.0
CG B:MET39 4.3 57.0 1.0
N B:MET39 4.4 52.3 1.0
CB B:LEU72 4.5 62.8 1.0
C15 B:FRI301 4.5 73.5 1.0
CE B:LYS35 4.7 63.7 1.0
O B:LYS35 4.8 56.9 1.0
CA B:LEU72 4.8 63.5 1.0
C B:ALA73 4.9 77.5 1.0
C B:ARG38 4.9 52.7 1.0

Chlorine binding site 5 out of 8 in 1qvn

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Chlorine binding site 5 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:66.0
occ:1.00
CL10 C:FRI401 0.0 66.0 1.0
C34 C:FRI401 1.8 71.2 1.0
C33 C:FRI401 2.7 74.6 1.0
C11 C:FRI401 2.8 73.1 1.0
CL9 C:FRI401 3.2 73.0 1.0
C14 C:FRI401 3.3 69.5 1.0
C13 C:FRI401 3.3 66.2 1.0
CG C:MET39 3.4 58.9 1.0
CA C:MET39 3.5 54.9 1.0
CB C:MET39 3.8 56.8 1.0
O C:ARG38 3.9 53.5 1.0
CB C:LEU72 4.0 68.8 1.0
CD1 C:LEU72 4.0 68.1 1.0
C20 C:FRI401 4.1 80.5 1.0
C15 C:FRI401 4.1 79.0 1.0
N C:MET39 4.1 54.4 1.0
C C:ARG38 4.2 53.7 1.0
C23 C:FRI401 4.4 66.8 1.0
O C:ALA69 4.5 52.1 1.0
N6 C:FRI401 4.5 71.2 1.0
CD2 C:PHE42 4.5 45.1 1.0
CB C:PHE42 4.6 46.1 1.0
C17 C:FRI401 4.6 83.0 1.0
C C:MET39 4.6 53.6 1.0
CG C:LEU72 4.7 69.3 1.0
O C:MET39 4.7 53.9 1.0
SD C:MET39 5.0 60.2 1.0

Chlorine binding site 6 out of 8 in 1qvn

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Chlorine binding site 6 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:73.0
occ:1.00
CL9 C:FRI401 0.0 73.0 1.0
C33 C:FRI401 1.8 74.6 1.0
C20 C:FRI401 2.7 80.5 1.0
C34 C:FRI401 2.8 71.2 1.0
O45 C:FRI401 2.9 0.1 1.0
CL10 C:FRI401 3.2 66.0 1.0
CB C:ALA73 3.3 76.8 1.0
CB C:MET39 3.3 56.8 1.0
CG C:MET39 3.4 58.9 1.0
CA C:MET39 3.9 54.9 1.0
C40 C:FRI401 3.9 0.6 1.0
O C:LYS35 4.0 57.5 1.0
CA C:ALA73 4.0 77.9 1.0
C17 C:FRI401 4.0 83.0 1.0
N C:MET39 4.0 54.4 1.0
C11 C:FRI401 4.1 73.1 1.0
N C:ALA73 4.3 75.2 1.0
SD C:MET39 4.3 60.2 1.0
O C:LEU72 4.3 73.2 1.0
CG C:LYS35 4.4 62.5 1.0
C C:LEU72 4.4 72.4 1.0
C15 C:FRI401 4.6 79.0 1.0
CE C:LYS35 4.6 65.1 1.0
C C:ARG38 4.7 53.7 1.0
CB C:ARG38 4.8 56.1 1.0
CE C:MET39 5.0 61.4 1.0
C C:LYS35 5.0 58.6 1.0
CB C:LEU72 5.0 68.8 1.0

Chlorine binding site 7 out of 8 in 1qvn

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Chlorine binding site 7 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:91.5
occ:1.00
CL10 D:FRI501 0.0 91.5 1.0
C34 D:FRI501 1.8 88.4 1.0
C33 D:FRI501 2.7 89.2 1.0
C11 D:FRI501 2.8 88.5 1.0
C13 D:FRI501 3.0 84.9 1.0
CL9 D:FRI501 3.1 0.3 1.0
C14 D:FRI501 3.2 87.2 1.0
O D:ARG38 3.2 53.7 1.0
CD1 D:LEU72 3.7 68.0 1.0
C D:ARG38 3.9 54.9 1.0
CA D:MET39 4.0 54.7 1.0
C20 D:FRI501 4.0 92.6 1.0
C23 D:FRI501 4.0 84.7 1.0
CD2 D:PHE42 4.0 48.4 1.0
C15 D:FRI501 4.1 91.6 1.0
N D:MET39 4.2 54.8 1.0
CB D:PHE42 4.2 48.2 1.0
N6 D:FRI501 4.4 89.6 1.0
OG1 D:THR41 4.6 50.0 1.0
O D:MET39 4.6 52.7 1.0
C17 D:FRI501 4.6 94.2 1.0
C39 D:FRI501 4.6 81.2 1.0
CB D:LEU72 4.6 68.2 1.0
C D:MET39 4.6 53.0 1.0
CG D:PHE42 4.6 47.9 1.0
C19 D:FRI501 4.7 83.0 1.0
CG D:LEU72 4.8 68.6 1.0
N D:PHE42 4.8 49.4 1.0
C21 D:FRI501 4.8 80.5 1.0
SD D:MET39 4.9 59.8 1.0
N8 D:FRI501 4.9 87.0 1.0
CB D:ARG38 4.9 58.1 1.0
CA D:ARG38 5.0 56.3 1.0
O45 D:FRI501 5.0 0.9 1.0

Chlorine binding site 8 out of 8 in 1qvn

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Chlorine binding site 8 out of 8 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:0.3
occ:1.00
CL9 D:FRI501 0.0 0.3 1.0
C33 D:FRI501 1.8 89.2 1.0
C20 D:FRI501 2.7 92.6 1.0
O45 D:FRI501 2.8 0.9 1.0
C34 D:FRI501 2.8 88.4 1.0
CG D:MET39 3.1 58.1 1.0
CL10 D:FRI501 3.1 91.5 1.0
SD D:MET39 3.3 59.8 1.0
CB D:ALA73 3.7 77.2 1.0
CA D:MET39 3.9 54.7 1.0
N D:ALA73 3.9 74.1 1.0
CB D:LEU72 4.0 68.2 1.0
C17 D:FRI501 4.0 94.2 1.0
CB D:MET39 4.0 56.4 1.0
C11 D:FRI501 4.1 88.5 1.0
CA D:ALA73 4.1 77.9 1.0
O D:ALA69 4.1 51.8 1.0
C40 D:FRI501 4.1 0.4 1.0
C D:LEU72 4.2 71.0 1.0
N D:MET39 4.2 54.8 1.0
C15 D:FRI501 4.5 91.6 1.0
O D:LEU72 4.5 71.2 1.0
C D:ARG38 4.7 54.9 1.0
O D:LYS35 4.7 57.8 1.0
CA D:LEU72 4.7 68.8 1.0
O D:ARG38 4.8 53.7 1.0
CD1 D:LEU72 4.9 68.0 1.0
C22 D:FRI501 4.9 0.5 1.0

Reference:

C.D.Thanos, W.L.Delano, J.A.Wells. Hot-Spot Mimicry of A Cytokine Receptor By A Small Molecule. Proc.Natl.Acad.Sci.Usa V. 103 15422 2006.
ISSN: ISSN 0027-8424
PubMed: 17032757
DOI: 10.1073/PNAS.0607058103
Page generated: Sat Dec 12 08:47:38 2020

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