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Chlorine in PDB 5lb6: Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)

Enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9)

All present enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9):
1.14.11.29;

Protein crystallography data

The structure of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 5lb6 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) 36.39 / 1.70
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 111.159, 111.159, 40.380, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 16.8

Other elements in 5lb6:

The structure of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) (pdb code 5lb6). 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) R371H Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 5lb6:

Chlorine binding site 1 out of 1 in 5lb6

Go back to Chlorine Binding Sites List in 5lb6
Chlorine binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant 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 Chlorine with other atoms in the Cl binding site number 1 of Hif Prolyl Hydroxylase 2 (PHD2/EGLN1) R371H Variant 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:Cl502

b:17.1
occ:1.00
CL1 A:UN9502 0.0 17.1 1.0
C7 A:UN9502 1.8 13.7 1.0
N8 A:UN9502 2.6 14.8 1.0
H1 A:UN9502 2.6 21.9 1.0
C2 A:UN9502 2.8 17.0 1.0
C1 A:UN9502 3.1 18.2 1.0
O A:HOH706 3.2 39.9 1.0
OD1 A:ASP315 3.4 14.2 1.0
MN A:MN501 3.5 13.1 1.0
HZ2 A:TRP389 3.5 16.5 1.0
HD2 A:HIS313 3.5 17.9 1.0
NE2 A:HIS313 3.6 12.4 1.0
CD2 A:HIS313 3.7 14.9 1.0
HA A:ASP315 3.9 18.1 1.0
C9 A:UN9502 3.9 13.4 1.0
C3 A:UN9502 4.0 14.6 1.0
OH A:TYR310 4.1 20.3 1.0
O A:HOH655 4.1 28.4 1.0
O A:HOH710 4.2 39.3 1.0
CG A:ASP315 4.2 15.3 1.0
CZ2 A:TRP389 4.3 13.8 1.0
O A:HOH623 4.3 14.5 1.0
HH A:TYR310 4.3 24.3 1.0
HH2 A:TRP389 4.4 20.3 1.0
C10 A:UN9502 4.5 13.8 1.0
CZ A:TYR310 4.5 17.5 1.0
C6 A:UN9502 4.5 15.2 1.0
HE1 A:TYR310 4.6 20.5 1.0
CE1 A:HIS313 4.6 14.4 1.0
CE1 A:TYR310 4.7 17.1 1.0
HH12 A:ARG322 4.7 30.1 1.0
CH2 A:TRP389 4.7 16.9 1.0
CA A:ASP315 4.8 15.0 1.0
HE1 A:MET299 4.8 18.0 1.0
CG A:HIS313 4.9 15.3 1.0
OD2 A:ASP315 4.9 14.4 1.0
C12 A:UN9502 4.9 12.2 1.0
O13 A:UN9502 4.9 14.2 1.0
CB A:ASP315 4.9 15.6 1.0
H6 A:UN9502 5.0 18.3 1.0
HB3 A:ASP315 5.0 18.7 1.0

Reference:

R.Chowdhury, I.K.Leung, Y.M.Tian, M.I.Abboud, W.Ge, C.Domene, F.X.Cantrelle, I.Landrieu, A.P.Hardy, C.W.Pugh, P.J.Ratcliffe, T.D.Claridge, C.J.Schofield. Structural Basis For Oxygen Degradation Domain Selectivity of the Hif Prolyl Hydroxylases. Nat Commun V. 7 12673 2016.
ISSN: ESSN 2041-1723
PubMed: 27561929
DOI: 10.1038/NCOMMS12673
Page generated: Fri Jul 26 11:17:58 2024

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