Chlorine in PDB 4nem: Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2

The structure of Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2, PDB code: 4nem was solved by S.Jehle, R.Brenke, S.Vajda, K.N.Allen, D.Kozakov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.47 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.709, 48.544, 79.767, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.9

The binding sites of Chlorine atom in the Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2 (pdb code 4nem). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2, PDB code: 4nem:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:89.2 occ:1.00 CL1 A:2JY201 0.0 89.2 1.0 C03 A:2JY201 1.7 79.8 1.0 C02 A:2JY201 2.7 75.5 1.0 C04 A:2JY201 2.7 76.7 1.0 CL2 A:2JY201 3.2 85.8 1.0 C01 A:2JY201 4.0 63.8 1.0 C05 A:2JY201 4.0 69.8 1.0 CD2 A:LEU12 4.3 43.2 1.0 C06 A:2JY201 4.5 63.6 1.0

Chlorine binding site 2 out of 2 in the Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Small Molecular Fragment Bound to Crystal Contact Interface of Interleukin-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:85.8 occ:1.00 CL2 A:2JY201 0.0 85.8 1.0 C04 A:2JY201 1.8 76.7 1.0 C05 A:2JY201 2.7 69.8 1.0 C03 A:2JY201 2.7 79.8 1.0 O09 A:2JY201 3.0 71.6 1.0 CL1 A:2JY201 3.2 89.2 1.0 CE1 A:HIS16 3.5 43.3 1.0 NE2 A:HIS16 3.6 33.5 1.0 C06 A:2JY201 4.0 63.6 1.0 ND1 A:HIS16 4.0 38.7 1.0 C02 A:2JY201 4.0 75.5 1.0 C10 A:2JY201 4.1 80.3 1.0 C11 A:2JY201 4.2 91.5 1.0 CD2 A:HIS16 4.3 35.1 1.0 O12 A:2JY201 4.4 96.9 1.0 CG A:HIS16 4.5 35.7 1.0 C01 A:2JY201 4.6 63.8 1.0 C15 A:2JY201 4.6 92.2 1.0 C13 A:2JY201 5.0 96.4 1.0

S.Jehle, R.Brenke, S.Vajda, K.N.Allen, D.Kozakov. Small Molecular Fragments Bound to Binding Energy Hot-Spot in Crystal Contact Interface of Interleukin-2 To Be Published.