Chlorine in PDB 4uwd: Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) D315E 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) D315E 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) D315E Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9):
1.14.11.2;

Protein crystallography data

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) D315E Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4uwd was solved by R.Chowdhury, H.Tarhonskaya, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.857 / 1.72
*Space group*	P 6₃
*Cell size a, b, c (Å), α, β, γ (°)*	110.520, 110.520, 39.380, 90.00, 90.00, 120.00
*R / R_free (%)*	14.95 / 17.35

Other elements in 4uwd:

Manganese

(Mn)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) D315E Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) (pdb code 4uwd). 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) D315E Variant in Complex with Mn(II) and N-[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4uwd:

Chlorine binding site 1 out of 1 in 4uwd

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Chlorine Binding Sites List in 4uwd

Chlorine binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) D315E 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) D315E 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:Cl601 b:29.3 occ:1.00	CL1	A:UN9601	0.0	29.3	1.0
	C7	A:UN9601	1.7	24.0	1.0
	H1	A:UN9601	2.6	33.3	1.0
	N8	A:UN9601	2.7	23.2	1.0
	C2	A:UN9601	2.7	24.8	1.0
	C1	A:UN9601	3.0	27.7	1.0
	O	A:HOH2105	3.2	59.2	1.0
	OE1	A:GLU315	3.5	26.7	0.4
	O	A:HOH2094	3.6	38.4	1.0
	OE1	A:GLU315	3.7	26.1	0.6
	NE2	A:HIS313	3.7	22.0	1.0
	MN	A:MN501	3.7	19.8	1.0
	HD2	A:HIS313	3.7	30.6	1.0
	O	A:HOH2078	3.8	56.6	1.0
	HH	A:TYR310	3.8	41.2	1.0
	HZ2	A:TRP389	3.9	32.4	1.0
	CD2	A:HIS313	3.9	25.5	1.0
	C9	A:UN9601	3.9	21.8	1.0
	OH	A:TYR310	3.9	34.4	1.0
	C3	A:UN9601	4.0	22.7	1.0
	HA	A:GLU315	4.3	34.8	0.4
	CZ	A:TYR310	4.4	31.7	1.0
	HG3	A:GLU315	4.4	33.8	0.6
	C6	A:UN9601	4.4	29.5	1.0
	CD	A:GLU315	4.4	29.9	0.6
	HA	A:GLU315	4.4	34.6	0.6
	C10	A:UN9601	4.5	23.2	1.0
	HE1	A:TYR310	4.5	36.7	1.0
	CD	A:GLU315	4.5	29.9	0.4
	O	A:HOH2106	4.6	24.6	1.0
	CE1	A:TYR310	4.6	30.6	1.0
	CZ2	A:TRP389	4.6	27.0	1.0
	CE1	A:HIS313	4.6	25.3	1.0
	HH12	A:ARG322	4.7	36.0	1.0
	HE2	A:MET299	4.9	32.4	1.0
	H6	A:UN9601	4.9	35.4	1.0
	CG	A:GLU315	4.9	28.2	0.6
	CG	A:HIS313	4.9	24.3	1.0
	HH2	A:TRP389	5.0	33.1	1.0

Reference:

H.Tarhonskaya, R.Chowdhury, I.K.H.Leung, N.D.Loik, J.S.O.Mccullagh, T.D.W.Claridge, C.J.Schofield, E.Flashman. Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen. Biochem.J. V. 463 363 2014.
ISSN: ISSN 0264-6021
PubMed: 25120187
DOI: 10.1042/BJ20140779

Page generated: Sat Dec 12 11:16:27 2020

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