Atomistry » Manganese » PDB 4u87-4wiu » 4uwd
Atomistry »
  Manganese »
    PDB 4u87-4wiu »
      4uwd »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy