Zinc in PDB 1py2: Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2

The structure of Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2, PDB code: 1py2 was solved by C.D.Thanos, M.Randal, J.A.Wells, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.982, 52.448, 89.469, 90.00, 106.34, 90.00
R / Rfree (%)	27.1 / 32

The structure of Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2 also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Zinc atom in the Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2 (pdb code 1py2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2, PDB code: 1py2:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:0.5 occ:1.00 OD1 B:ASP20 2.3 42.8 1.0 NE2 B:HIS16 2.3 48.1 1.0 OD2 B:ASP20 3.0 41.4 1.0 CG B:ASP20 3.0 41.6 1.0 CD2 B:HIS16 3.1 47.5 1.0 CE1 B:HIS16 3.4 48.2 1.0 CG B:HIS16 4.3 46.9 1.0 ND1 B:HIS16 4.4 47.7 1.0 CB B:ASP20 4.5 39.8 1.0 O B:HIS16 4.8 45.1 1.0 CD1 B:LEU85 4.8 59.9 1.0

Zinc binding site 2 out of 3 in the Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn701 b:0.2 occ:1.00 NE2 C:HIS16 2.2 61.0 1.0 CE1 C:HIS16 3.0 60.9 1.0 CD2 C:HIS16 3.3 59.5 1.0 ND1 C:HIS16 4.2 59.6 1.0 OD1 C:ASP20 4.4 49.1 1.0 CG C:HIS16 4.4 58.1 1.0 ND2 C:ASN88 4.4 65.0 1.0

Zinc binding site 3 out of 3 in the Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of A 60 Nm Small Molecule Bound to A Hot Spot on Il-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn801 b:0.5 occ:1.00 OE1 B:GLU15 2.7 62.4 1.0 OE2 B:GLU15 2.7 61.7 1.0 CD B:GLU15 3.1 60.6 1.0 CG B:GLU15 4.6 57.1 1.0 NE2 B:GLN11 4.7 66.3 1.0 O C:SER130 4.9 70.1 1.0

C.D.Thanos, M.Randal, J.A.Wells. Potent Small-Molecule Binding to A Dynamic Hot Spot on Il-2. J.Am.Chem.Soc. V. 125 15280 2003.
ISSN: ISSN 0002-7863
PubMed: 14664558
DOI: 10.1021/JA0382617