Chlorine in PDB 3pus: PHF2 Jumonji-Nog-Ni(II)

The structure of PHF2 Jumonji-Nog-Ni(II), PDB code: 3pus was solved by J.R.Horton, A.K.Upadhyay, H.Hashimoto, X.Zhang, X.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.53 / 2.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.353, 96.979, 66.194, 90.00, 89.78, 90.00
R / Rfree (%)	17.5 / 23.2

The structure of PHF2 Jumonji-Nog-Ni(II) also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the PHF2 Jumonji-Nog-Ni(II) (pdb code 3pus). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the PHF2 Jumonji-Nog-Ni(II), PDB code: 3pus:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the PHF2 Jumonji-Nog-Ni(II)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PHF2 Jumonji-Nog-Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:30.8 occ:1.00 O A:HOH24 2.9 33.2 1.0 OG A:SER216 3.0 29.0 1.0 N A:LEU337 3.2 25.8 1.0 N A:VAL218 3.3 25.8 1.0 CG2 A:VAL218 3.6 22.2 1.0 N A:TRP217 3.6 26.9 1.0 CA A:PHE336 3.6 26.0 1.0 CB A:VAL218 3.7 23.3 1.0 CB A:PHE336 3.8 25.6 1.0 O A:LEU337 3.8 26.4 1.0 C A:PHE336 3.9 25.1 1.0 CB A:SER216 3.9 23.0 1.0 CA A:SER216 4.1 23.0 1.0 CA A:LEU337 4.1 21.8 1.0 CA A:VAL218 4.1 30.4 1.0 C A:SER216 4.1 22.4 1.0 CB A:LEU337 4.2 26.3 1.0 CA A:TRP217 4.2 29.7 1.0 C A:TRP217 4.3 29.7 1.0 O A:HOH53 4.3 40.0 1.0 CB A:TRP217 4.3 31.4 1.0 C A:LEU337 4.4 25.9 1.0 CG A:LEU337 4.5 28.6 1.0 CZ A:PHE363 4.6 28.0 1.0 O A:HIS335 4.7 22.2 1.0 N A:PHE336 4.9 24.2 1.0 CD1 A:LEU337 4.9 34.4 1.0 N A:GLU219 4.9 34.5 1.0 O A:HOH464 4.9 29.7 1.0

Chlorine binding site 2 out of 2 in the PHF2 Jumonji-Nog-Ni(II)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PHF2 Jumonji-Nog-Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl452 b:32.0 occ:1.00 OG B:SER216 2.8 32.7 1.0 O B:HOH488 2.8 34.2 1.0 N B:LEU337 3.1 24.3 1.0 N B:VAL218 3.3 30.9 1.0 CG2 B:VAL218 3.5 28.8 1.0 N B:TRP217 3.5 23.5 1.0 CB B:VAL218 3.6 31.8 1.0 CA B:PHE336 3.6 24.1 1.0 CB B:SER216 3.7 32.7 1.0 O B:LEU337 3.8 28.5 1.0 CB B:PHE336 3.8 29.3 1.0 CA B:SER216 3.9 28.7 1.0 C B:PHE336 3.9 29.7 1.0 C B:SER216 4.0 28.1 1.0 CA B:VAL218 4.0 25.2 1.0 CA B:LEU337 4.1 25.3 1.0 CB B:LEU337 4.2 29.2 1.0 C B:TRP217 4.2 34.1 1.0 CA B:TRP217 4.2 33.1 1.0 CB B:TRP217 4.4 21.1 1.0 C B:LEU337 4.4 24.1 1.0 CG B:LEU337 4.6 25.1 1.0 CZ B:PHE363 4.6 27.4 1.0 O B:HIS335 4.8 27.3 1.0 N B:GLU219 4.8 29.4 1.0 N B:PHE336 4.9 23.7 1.0 O B:HOH40 4.9 38.0 1.0 CG1 B:VAL218 5.0 27.0 1.0 O B:SER216 5.0 25.7 1.0

J.R.Horton, A.K.Upadhyay, H.Hashimoto, X.Zhang, X.Cheng. Structural Basis For Human PHF2 Jumonji Domain Interaction with Metal Ions. J.Mol.Biol. V. 406 1 2011.
ISSN: ISSN 0022-2836
PubMed: 21167174
DOI: 10.1016/J.JMB.2010.12.013