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

Protein crystallography data

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9), PDB code: 4bqx 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) 54.80 / 1.79
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 109.600, 109.600, 39.330, 90.00, 90.00, 120.00
R / Rfree (%) 21.1 / 22.9

Other elements in 4bqx:

The structure of Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) in Complex with Mn(II) and N- [(1-Chloro-4-Hydroxyisoquinolin-3-Yl)Carbonyl]Glycine (IOX3/UN9) also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 4bqx

Go back to Chlorine Binding Sites List in 4bqx
Chlorine binding site 1 out of 1 in the Hif Prolyl Hydroxylase 2 (PHD2/ EGLN1) 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) 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:8.8
occ:1.00
CL1 A:UN9601 0.0 8.8 1.0
C7 A:UN9601 1.7 26.1 1.0
N8 A:UN9601 2.6 27.2 1.0
C2 A:UN9601 2.8 26.9 1.0
C1 A:UN9601 3.1 29.8 1.0
O A:HOH2077 3.2 50.6 1.0
MN A:MN501 3.5 25.7 1.0
NE2 A:HIS313 3.5 26.5 1.0
OD1 A:ASP315 3.5 24.9 1.0
CD2 A:HIS313 3.8 26.8 1.0
O A:HOH2068 3.9 41.5 1.0
C9 A:UN9601 3.9 27.2 1.0
C3 A:UN9601 4.0 28.9 1.0
OH A:TYR310 4.1 33.4 1.0
CZ2 A:TRP389 4.3 27.5 1.0
O A:HOH2078 4.3 25.2 1.0
CG A:ASP315 4.4 28.5 1.0
CZ A:TYR310 4.5 33.1 1.0
C6 A:UN9601 4.5 32.1 1.0
O A:HOH2075 4.5 54.8 1.0
C10 A:UN9601 4.5 28.7 1.0
CE1 A:HIS313 4.6 26.9 1.0
CH2 A:TRP389 4.7 25.6 1.0
CE1 A:TYR310 4.8 31.1 1.0
CA A:ASP315 4.9 26.0 1.0
CG A:HIS313 4.9 25.9 1.0

Reference:

R.Chowdhury, J.I.Candela-Lena, M.C.Chan, D.J.Greenald, K.K.Yeoh, Y.M.Tian, M.A.Mcdonough, A.Tumber, N.R.Rose, A.Conejo-Garcia, M.Demetriades, S.Mathavan, A.Kawamura, M.K.Lee, F.Van Eeden, C.W.Pugh, P.J.Ratcliffe, C.J.Schofield. Selective Small Molecule Probes For the Hypoxia Inducible Factor (Hif) Prolyl Hydroxylases. Acs Chem. Biol. V. 8 1488 2013.
ISSN: ESSN 1554-8937
PubMed: 23683440
DOI: 10.1021/CB400088Q
Page generated: Sun Jul 21 10:25:52 2024

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