Atomistry » Chlorine » PDB 1quo-1rki » 1qvn
Atomistry »
  Chlorine »
    PDB 1quo-1rki »
      1qvn »

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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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

Go back to Chlorine Binding Sites List in 1qvn
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 Jul 20 01:45:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy