Chlorine in PDB 4bqy: Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine, PDB code: 4bqy was solved by R.Chowdhury, M.A.Mcdonough, K.K.Yeoh, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.30 / 1.53
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	110.885, 110.885, 40.432, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 22.8

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine (pdb code 4bqy). 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 Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine, PDB code: 4bqy:

Chlorine binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Fe(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:16.9 occ:1.00 CL1 A:FNT601 0.0 16.9 1.0 C7 A:FNT601 1.7 14.1 1.0 N8 A:FNT601 2.6 14.9 1.0 C2 A:FNT601 2.7 14.9 1.0 C1 A:FNT601 3.0 16.1 1.0 O A:HOH2156 3.2 37.3 1.0 OD1 A:ASP315 3.4 15.2 1.0 HZ2 A:TRP389 3.4 13.3 1.0 HD2 A:HIS313 3.5 15.3 1.0 FE A:FE2501 3.5 11.2 1.0 NE2 A:HIS313 3.7 13.5 1.0 CD2 A:HIS313 3.8 15.3 1.0 HA A:ASP315 3.8 16.0 1.0 HH A:TYR310 3.8 18.0 1.0 C9 A:FNT601 3.9 14.5 1.0 C3 A:FNT601 3.9 15.6 1.0 OH A:TYR310 4.0 18.0 1.0 O A:HOH2145 4.1 27.2 1.0 O A:HOH2120 4.1 52.6 1.0 CG A:ASP315 4.1 15.4 1.0 O A:HOH2154 4.2 41.5 1.0 CZ2 A:TRP389 4.2 13.3 1.0 HH2 A:TRP389 4.3 15.7 1.0 O A:HOH2157 4.3 14.1 1.0 C6 A:FNT601 4.4 15.9 1.0 CZ A:TYR310 4.4 15.6 1.0 C10 A:FNT601 4.4 15.6 1.0 HE1 A:TYR310 4.5 15.5 1.0 CE1 A:TYR310 4.6 15.5 1.0 HH12 A:ARG322 4.6 22.5 1.0 CH2 A:TRP389 4.6 15.7 1.0 CA A:ASP315 4.7 16.0 1.0 CE1 A:HIS313 4.7 15.4 1.0 HE2 A:MET299 4.8 14.2 1.0 OD2 A:ASP315 4.8 13.8 1.0 CB A:ASP315 4.9 14.7 1.0 CG A:HIS313 4.9 15.4 1.0 C12 A:FNT601 4.9 14.6 1.0 HB3 A:ASP315 4.9 14.7 1.0

R.Chowdhury, J.I.Candela-Lena, M.C.Chan, D.J.Greenald, K.K.Yeoh, Y.M.Tian, M.A.Mcdonough, A.Tumber, N.R.Rose, A.Conejo-Garcia, M.Demetriades, S.Mathavan, A.Kawamura, M.K.Lee, F.Van Eeden, C.W.Pugh, P.J.Ratcliffe, C.J.Schofield. Selective Small Molecule Probes For the Hypoxia Inducible Factor (Hif) Prolyl Hydroxylases. Acs Chem. Biol. V. 8 1488 2013.
ISSN: ESSN 1554-8937
PubMed: 23683440
DOI: 10.1021/CB400088Q