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

The structure of PHF2 Jumonji-Nog-Ni(II), PDB code: 3pua 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)	32.88 / 1.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.575, 65.767, 66.612, 90.00, 102.09, 90.00
R / Rfree (%)	16.4 / 21

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

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the PHF2 Jumonji-Nog-Ni(II) (pdb code 3pua). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the PHF2 Jumonji-Nog-Ni(II), PDB code: 3pua:

Chlorine binding site 1 out of 1 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:Cl453 b:24.2 occ:1.00 O A:HOH14 2.9 28.5 1.0 OG A:SER216 3.0 21.9 1.0 N A:LEU337 3.1 20.2 1.0 N A:VAL218 3.2 18.1 1.0 N A:TRP217 3.5 20.2 1.0 CG2 A:VAL218 3.6 20.1 1.0 CA A:PHE336 3.7 17.5 1.0 CB A:VAL218 3.7 22.2 1.0 O A:LEU337 3.8 18.0 1.0 CB A:PHE336 3.8 16.3 1.0 CB A:SER216 3.8 19.3 1.0 C A:PHE336 3.9 20.1 1.0 CA A:SER216 4.0 17.6 1.0 C A:SER216 4.0 20.6 1.0 CA A:VAL218 4.0 20.1 1.0 CB A:LEU337 4.1 19.1 1.0 CA A:LEU337 4.1 19.3 1.0 C A:TRP217 4.2 21.7 1.0 CA A:TRP217 4.2 17.6 1.0 O A:HOH503 4.2 41.3 1.0 CB A:TRP217 4.3 15.9 1.0 CG A:LEU337 4.4 23.0 1.0 C A:LEU337 4.4 18.4 1.0 CZ A:PHE363 4.6 19.9 1.0 O A:HIS335 4.8 22.8 1.0 N A:GLU219 4.9 22.8 1.0 O A:SER216 4.9 21.3 1.0 N A:PHE336 4.9 14.0 1.0 O A:HOH19 4.9 28.1 1.0 CD1 A:LEU337 4.9 18.9 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