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 / R_free (%)*	14.5 / 16.8

Other elements in 5lb6:

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

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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: Sat Dec 12 12:01:34 2020

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