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Manganese 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 / Rfree (%) 14.95 / 17.35

Other elements in 4uwd:

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) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total only one binding site of Manganese 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:

Manganese binding site 1 out of 1 in 4uwd

Go back to Manganese Binding Sites List in 4uwd
Manganese 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 Manganese with other atoms in the Mn 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:Mn501

b:19.8
occ:1.00
 NE2 A:HIS313 2.2 22.0 1.0
OE1 A:GLU315 2.2 26.1 0.6
O13 A:UN9601 2.2 22.5 1.0
NE2 A:HIS374 2.3 23.9 1.0
O A:HOH2106 2.3 24.6 1.0
OE1 A:GLU315 2.3 26.7 0.4
N8 A:UN9601 2.3 23.2 1.0
C12 A:UN9601 2.9 21.1 1.0
C9 A:UN9601 2.9 21.8 1.0
CE1 A:HIS313 3.0 25.3 1.0
HE1 A:HIS313 3.0 30.4 1.0
CD A:GLU315 3.0 29.9 0.4
CD A:GLU315 3.1 29.9 0.6
CE1 A:HIS374 3.2 21.8 1.0
CD2 A:HIS374 3.2 22.8 1.0
C7 A:UN9601 3.3 24.0 1.0
CD2 A:HIS313 3.3 25.5 1.0
HE1 A:HIS374 3.4 26.1 1.0
OE2 A:GLU315 3.4 30.9 0.6
OE2 A:GLU315 3.4 30.9 0.4
HD2 A:HIS374 3.4 27.4 1.0
HD2 A:HIS313 3.6 30.6 1.0
CL1 A:UN9601 3.7 29.3 1.0
HZ A:PHE366 4.0 31.1 1.0
HG2 A:GLU315 4.1 33.7 0.4
ND1 A:HIS313 4.2 24.0 1.0
CG A:GLU315 4.2 28.1 0.4
N14 A:UN9601 4.2 21.6 1.0
ND1 A:HIS374 4.3 23.3 1.0
C10 A:UN9601 4.3 23.2 1.0
CG A:HIS374 4.4 22.9 1.0
CG A:HIS313 4.4 24.3 1.0
O A:HOH2139 4.4 27.1 1.0
CG A:GLU315 4.5 28.2 0.6
HA3 A:UN9601 4.5 26.0 1.0
HA A:GLU315 4.6 34.6 0.6
C2 A:UN9601 4.6 24.8 1.0
HA A:GLU315 4.6 34.8 0.4
HG3 A:GLU315 4.7 33.8 0.6
HZ2 A:TRP389 4.7 32.4 1.0
HB2 A:GLU315 4.8 34.2 0.6
HG3 A:GLU315 4.8 33.7 0.4
H A:UN9601 4.8 25.9 1.0
C15 A:UN9601 4.8 21.7 1.0
CZ A:PHE366 4.9 25.9 1.0
HA A:UN9601 4.9 26.0 1.0
HG22 A:THR325 5.0 27.4 1.0
HE1 A:PHE366 5.0 31.7 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 Oct 5 21:26:28 2024

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