Chlorine in PDB 3pu8: PHF2 Jumonji-Nog-Fe(II) Complex

The structure of PHF2 Jumonji-Nog-Fe(II) Complex, PDB code: 3pu8 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)	33.87 / 1.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.748, 98.126, 66.517, 90.00, 90.13, 90.00
R / Rfree (%)	18.1 / 23.5

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

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the PHF2 Jumonji-Nog-Fe(II) Complex (pdb code 3pu8). 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-Fe(II) Complex, PDB code: 3pu8:
Jump to Chlorine binding site number: 1; 2;

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


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-Fe(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl453 b:28.7 occ:1.00 OG B:SER216 2.8 27.6 1.0 O B:HOH588 3.0 34.7 1.0 N B:LEU337 3.2 25.2 1.0 N B:VAL218 3.3 23.3 1.0 CG2 B:VAL218 3.4 22.3 1.0 N B:TRP217 3.5 24.0 1.0 CB B:VAL218 3.6 25.6 1.0 CA B:PHE336 3.7 25.1 1.0 O B:LEU337 3.8 24.1 1.0 CB B:SER216 3.8 27.9 1.0 CB B:PHE336 3.8 26.5 1.0 CA B:SER216 4.0 23.6 1.0 O B:HOH503 4.0 44.0 1.0 C B:PHE336 4.0 23.4 1.0 C B:SER216 4.0 27.8 1.0 CA B:VAL218 4.1 26.4 1.0 CA B:TRP217 4.2 27.9 1.0 CA B:LEU337 4.2 20.7 1.0 C B:TRP217 4.2 25.2 1.0 CB B:LEU337 4.2 24.0 1.0 CB B:TRP217 4.3 26.5 1.0 C B:LEU337 4.4 19.6 1.0 CG B:LEU337 4.5 24.2 1.0 CZ B:PHE363 4.6 26.8 1.0 O B:HOH472 4.7 31.0 1.0 O B:HIS335 4.8 22.8 1.0 N B:GLU219 4.8 27.0 1.0 O B:SER216 5.0 24.9 1.0 CD1 B:LEU337 5.0 25.6 1.0

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


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-Fe(II) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:29.4 occ:1.00 OG A:SER216 3.0 28.8 1.0 O A:HOH498 3.0 37.5 1.0 N A:LEU337 3.1 24.4 1.0 N A:VAL218 3.3 27.5 1.0 CG2 A:VAL218 3.5 23.3 1.0 N A:TRP217 3.6 25.5 1.0 CB A:VAL218 3.6 26.7 1.0 CA A:PHE336 3.6 22.8 1.0 O A:LEU337 3.8 23.3 1.0 CB A:PHE336 3.8 23.7 1.0 C A:PHE336 3.9 27.4 1.0 CB A:SER216 3.9 28.8 1.0 CB A:LEU337 4.0 24.0 1.0 CA A:LEU337 4.0 22.4 1.0 CA A:SER216 4.1 26.4 1.0 CA A:VAL218 4.1 27.3 1.0 C A:SER216 4.1 28.1 1.0 CA A:TRP217 4.2 29.8 1.0 C A:TRP217 4.3 27.3 1.0 CB A:TRP217 4.3 28.2 1.0 O A:HOH584 4.3 47.9 1.0 CG A:LEU337 4.4 28.1 1.0 C A:LEU337 4.4 21.5 1.0 CZ A:PHE363 4.5 27.1 1.0 O A:HIS335 4.8 25.0 1.0 O A:HOH464 4.9 31.1 1.0 N A:PHE336 4.9 24.2 1.0 N A:GLU219 5.0 29.1 1.0 CG1 A:VAL218 5.0 33.3 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