Manganese in PDB 4bqx: Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4bqx was solved by R.Chowdhury, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.80 / 1.79
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	109.600, 109.600, 39.330, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 22.9

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) (pdb code 4bqx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4bqx:

Manganese binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:25.7 occ:1.00 O A:HOH2078 2.2 25.2 1.0 OD1 A:ASP315 2.2 24.9 1.0 O13 A:UN9601 2.3 25.5 1.0 NE2 A:HIS374 2.3 25.1 1.0 NE2 A:HIS313 2.3 26.5 1.0 N8 A:UN9601 2.3 27.2 1.0 CE1 A:HIS313 3.0 26.9 1.0 C12 A:UN9601 3.0 26.4 1.0 C9 A:UN9601 3.1 27.2 1.0 CE1 A:HIS374 3.2 22.0 1.0 CD2 A:HIS374 3.2 25.2 1.0 CG A:ASP315 3.2 28.5 1.0 C7 A:UN9601 3.3 26.1 1.0 CD2 A:HIS313 3.5 26.8 1.0 CL1 A:UN9601 3.5 8.8 1.0 OD2 A:ASP315 3.5 26.2 1.0 ND1 A:HIS313 4.2 26.4 1.0 O A:HOH2114 4.2 27.8 1.0 N14 A:UN9601 4.3 26.3 1.0 ND1 A:HIS374 4.3 24.6 1.0 CG A:HIS374 4.4 25.0 1.0 CG A:HIS313 4.5 25.9 1.0 C10 A:UN9601 4.5 28.7 1.0 CB A:ASP315 4.6 25.9 1.0 C2 A:UN9601 4.6 26.9 1.0 CA A:ASP315 4.9 26.0 1.0 CZ A:PHE366 4.9 27.0 1.0 C15 A:UN9601 4.9 25.3 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