Chlorine in PDB 2y34: S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9

The structure of S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9, PDB code: 2y34 was solved by R.Chowdhury, M.A.Mcdonough, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.58 / 2.01
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	110.302, 110.302, 40.378, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 22.5

The structure of S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9 (pdb code 2y34). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9, PDB code: 2y34:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:1.0 occ:1.00 CL1 A:UN9601 0.0 1.0 1.0 C7 A:UN9601 1.7 15.7 1.0 N8 A:UN9601 2.6 17.7 1.0 C2 A:UN9601 2.8 18.3 1.0 C1 A:UN9601 3.1 18.3 1.0 O A:HOH2074 3.1 25.0 1.0 OD1 A:ASP315 3.3 18.7 1.0 FE A:FE2501 3.5 25.9 1.0 NE2 A:HIS313 3.7 24.7 1.0 O A:HOH2066 3.7 24.6 1.0 CD2 A:HIS313 3.9 22.5 1.0 C9 A:UN9601 3.9 19.5 1.0 CZ2 A:TRP389 4.0 18.9 1.0 C3 A:UN9601 4.0 20.4 1.0 CG A:ASP315 4.1 22.3 1.0 OH A:TYR310 4.2 26.9 1.0 O A:HOH2073 4.4 21.5 1.0 CH2 A:TRP389 4.4 16.6 1.0 C6 A:UN9601 4.5 22.6 1.0 C10 A:UN9601 4.5 20.2 1.0 CZ A:TYR310 4.6 24.4 1.0 CA A:ASP315 4.6 19.9 1.0 CB A:ASP315 4.7 19.9 1.0 OD2 A:ASP315 4.8 20.6 1.0 CE1 A:HIS313 4.8 23.2 1.0 CE1 A:TYR310 4.9 24.9 1.0

Chlorine binding site 2 out of 2 in the S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of S-Nitrosylated PHD2 (No Exposed) in Complex with Fe(II) and UN9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:41.6 occ:1.00 CL1 A:UN9602 0.0 41.6 1.0 C7 A:UN9602 1.7 42.6 1.0 N8 A:UN9602 2.7 48.0 1.0 C2 A:UN9602 2.7 41.8 1.0 C1 A:UN9602 3.0 38.6 1.0 OD2 A:ASP320 3.2 25.1 1.0 CG A:ASP320 3.3 22.2 1.0 NE A:ARG322 3.7 23.1 1.0 OD1 A:ASP320 3.7 20.1 1.0 CB A:ASP320 3.8 22.6 1.0 C9 A:UN9602 3.9 52.0 1.0 C3 A:UN9602 4.0 44.0 1.0 O A:ASP320 4.1 22.1 1.0 O A:HOH2077 4.1 34.4 1.0 CD A:ARG322 4.2 23.9 1.0 CE1 A:PHE391 4.2 33.4 1.0 CG A:ARG322 4.4 22.6 1.0 CZ A:ARG322 4.4 22.6 1.0 C6 A:UN9602 4.4 39.4 1.0 C10 A:UN9602 4.5 47.2 1.0 CZ A:PHE391 4.5 32.9 1.0 NH2 A:ARG322 4.5 21.3 1.0 C A:ASP320 4.7 23.6 1.0 CA A:ASP320 4.9 21.1 1.0

R.Chowdhury, E.Flashman, J.Mecinovic, H.B.Kramer, B.M.Kessler, Y.M.Frapart, J.L.Boucher, I.J.Clifton, M.A.Mcdonough, C.J.Schofield. Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (EGLN1). J. Mol. Biol. V. 410 268 2011.
ISSN: ESSN 1089-8638
PubMed: 21601578
DOI: 10.1016/J.JMB.2011.04.075