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Zinc 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:

Chlorine (Cl) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of SP4160 Bound to Il-2 V69A, PDB code: 1qvn:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1qvn

Go back to Zinc Binding Sites List in 1qvn
Zinc binding site 1 out of 4 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn601

b:0.7
occ:1.00
NE2 D:HIS16 2.7 63.9 1.0
NE2 B:HIS16 2.8 52.8 1.0
CE1 D:HIS16 3.1 63.8 1.0
OD1 B:ASP20 3.2 45.8 1.0
CE1 B:HIS16 3.2 52.7 1.0
CD2 D:HIS16 3.9 62.3 1.0
OD2 B:ASP20 3.9 46.1 1.0
CD2 B:HIS16 3.9 51.6 1.0
CG B:ASP20 4.0 45.7 1.0
ND1 D:HIS16 4.3 62.9 1.0
ND1 B:HIS16 4.4 52.3 1.0
CG D:HIS16 4.7 61.7 1.0
CG B:HIS16 4.7 51.0 1.0

Zinc binding site 2 out of 4 in 1qvn

Go back to Zinc Binding Sites List in 1qvn
Zinc binding site 2 out of 4 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn701

b:0.7
occ:1.00
NE2 A:HIS16 2.1 62.9 1.0
CE1 A:HIS16 2.9 63.5 1.0
CD2 A:HIS16 3.2 59.7 1.0
OD1 A:ASP20 3.8 51.4 1.0
ND1 A:HIS16 4.1 61.1 1.0
CG A:HIS16 4.2 58.1 1.0
OD2 A:ASP20 4.4 50.3 1.0
CG A:ASP20 4.6 50.1 1.0

Zinc binding site 3 out of 4 in 1qvn

Go back to Zinc Binding Sites List in 1qvn
Zinc binding site 3 out of 4 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn801

b:76.1
occ:1.00
OE2 B:GLU68 2.3 66.5 1.0
CD B:GLU68 2.9 65.6 1.0
OE1 B:GLU68 3.0 66.7 1.0
CG B:GLU68 4.2 62.8 1.0
C31 B:FRI301 4.8 65.3 1.0

Zinc binding site 4 out of 4 in 1qvn

Go back to Zinc Binding Sites List in 1qvn
Zinc binding site 4 out of 4 in the Structure of SP4160 Bound to Il-2 V69A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of SP4160 Bound to Il-2 V69A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn901

b:75.2
occ:1.00
OE1 C:GLU68 2.4 68.7 1.0
CD C:GLU68 3.0 68.0 1.0
OE2 C:GLU68 3.2 69.6 1.0
CG C:GLU68 4.4 65.2 1.0
C31 C:FRI401 4.7 64.5 1.0
C29 C:FRI401 5.0 62.3 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: Wed Dec 16 03:02:07 2020

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