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Manganese in PDB 6qgv: Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167)

Enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167)

All present enzymatic activity of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167):
1.14.11.29;

Protein crystallography data

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167), PDB code: 6qgv was solved by R.Chowdhury, J.P.Holt-Martyn, M.Z.Rahman, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.03 / 1.40
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 120.065, 120.065, 86.563, 90.00, 90.00, 120.00
R / Rfree (%) 15.7 / 17.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167) (pdb code 6qgv). 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) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167), PDB code: 6qgv:

Manganese binding site 1 out of 1 in 6qgv

Go back to Manganese Binding Sites List in 6qgv
Manganese binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167)


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) in Complex with A Spiro[4.5]Decanone Inhibitor (Jphm-2-167) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:14.9
occ:1.00
 N30 A:J2H502 2.1 15.9 1.0
NE2 A:HIS374 2.1 18.4 1.0
NE2 A:HIS313 2.1 16.6 1.0
OD1 A:ASP315 2.2 16.8 1.0
O A:HOH626 2.2 17.8 1.0
N27 A:J2H502 2.3 16.1 1.0
C29 A:J2H502 2.8 16.6 1.0
C28 A:J2H502 2.9 16.3 1.0
H362 A:J2H502 2.9 19.8 1.0
C36 A:J2H502 3.0 16.5 1.0
H361 A:J2H502 3.0 19.8 1.0
CE1 A:HIS374 3.0 16.6 1.0
H262 A:J2H502 3.0 19.6 1.0
H281 A:J2H502 3.0 19.5 1.0
CE1 A:HIS313 3.0 18.2 1.0
C26 A:J2H502 3.1 16.4 1.0
HE1 A:HIS374 3.1 19.9 1.0
C31 A:J2H502 3.1 16.7 1.0
H261 A:J2H502 3.2 19.6 1.0
CG A:ASP315 3.2 17.7 1.0
CD2 A:HIS374 3.2 19.0 1.0
CD2 A:HIS313 3.2 16.5 1.0
HE1 A:HIS313 3.2 21.9 1.0
H311 A:J2H502 3.2 20.0 1.0
HD2 A:HIS313 3.4 19.8 1.0
HD2 A:HIS374 3.4 22.8 1.0
OD2 A:ASP315 3.6 17.2 1.0
H282 A:J2H502 3.8 19.5 1.0
ND1 A:HIS374 4.1 17.9 1.0
C34 A:J2H502 4.2 17.8 1.0
HZ A:PHE366 4.2 24.0 1.0
ND1 A:HIS313 4.2 18.2 1.0
CG A:HIS374 4.3 17.1 1.0
CG A:HIS313 4.3 16.6 1.0
HA A:ASP315 4.3 18.9 1.0
C32 A:J2H502 4.3 16.5 1.0
CB A:ASP315 4.5 16.4 1.0
C37 A:J2H502 4.5 16.5 1.0
C25 A:J2H502 4.6 16.1 1.0
O A:HOH705 4.6 17.2 1.0
C33 A:J2H502 4.8 16.4 1.0
CA A:ASP315 4.8 15.7 1.0
H372 A:J2H502 4.9 19.8 1.0
HD1 A:HIS374 4.9 21.5 1.0
H A:ASP315 4.9 19.5 1.0
H251 A:J2H502 4.9 19.3 1.0
HE1 A:PHE366 5.0 22.9 1.0
N A:ASP315 5.0 16.2 1.0
HZ2 A:TRP389 5.0 20.6 1.0
HD1 A:HIS313 5.0 21.9 1.0

Reference:

J.P.Holt-Martyn, R.Chowdhury, M.Z.Rahman, A.Tumber, K.Lippl, W.Figg, M.A.Mcdonough, C.J.Schofield. Molecular and Cellular Mechanisms of Hif Prolyl Hydroxylase Inhibitors in Clinical Trials To Be Published.
Page generated: Sun Oct 6 05:57:54 2024

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