Iron in PDB 6ayb: Naegleria Fowleri CYP51-Ketoconazole Complex

Protein crystallography data

The structure of Naegleria Fowleri CYP51-Ketoconazole Complex, PDB code: 6ayb was solved by A.Debnath, C.M.Calvet, G.Jennings, W.Zhou, A.Aksenov, M.Luth, R.Abagyan, W.D.Nes, J.H.Mckerrow, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.50 / 1.87
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.210, 55.250, 71.620, 90.00, 100.13, 90.00
R / Rfree (%) 24.3 / 28.4

Other elements in 6ayb:

The structure of Naegleria Fowleri CYP51-Ketoconazole Complex also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Calcium (Ca) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Naegleria Fowleri CYP51-Ketoconazole Complex (pdb code 6ayb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Naegleria Fowleri CYP51-Ketoconazole Complex, PDB code: 6ayb:

Iron binding site 1 out of 1 in 6ayb

Go back to Iron Binding Sites List in 6ayb
Iron binding site 1 out of 1 in the Naegleria Fowleri CYP51-Ketoconazole Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Naegleria Fowleri CYP51-Ketoconazole Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:29.3
occ:1.00
FE A:HEM501 0.0 29.3 1.0
ND A:HEM501 1.9 29.1 1.0
NA A:HEM501 2.0 24.5 1.0
NC A:HEM501 2.0 23.7 1.0
NB A:HEM501 2.1 27.6 1.0
N2 A:KKK508 2.2 35.9 1.0
SG A:CYS430 2.4 31.4 1.0
C1D A:HEM501 2.9 29.0 1.0
C4D A:HEM501 2.9 26.9 1.0
C1A A:HEM501 3.0 31.1 1.0
C4C A:HEM501 3.0 29.6 1.0
C4A A:HEM501 3.0 31.7 1.0
C4B A:HEM501 3.0 25.1 1.0
C1C A:HEM501 3.1 27.9 1.0
C1B A:HEM501 3.1 27.9 1.0
C2 A:KKK508 3.2 29.3 1.0
C1 A:KKK508 3.2 30.4 1.0
CHD A:HEM501 3.4 28.8 1.0
CB A:CYS430 3.4 28.1 1.0
CHA A:HEM501 3.4 29.7 1.0
CHC A:HEM501 3.4 26.4 1.0
CHB A:HEM501 3.4 29.4 1.0
CA A:CYS430 4.1 30.8 1.0
C2D A:HEM501 4.2 27.4 1.0
C3A A:HEM501 4.2 28.6 1.0
C2A A:HEM501 4.2 28.9 1.0
C3D A:HEM501 4.2 33.1 1.0
C3C A:HEM501 4.2 25.6 1.0
C2C A:HEM501 4.2 25.5 1.0
C2B A:HEM501 4.3 28.4 1.0
C3B A:HEM501 4.3 27.6 1.0
N1 A:KKK508 4.3 37.7 1.0
C3 A:KKK508 4.4 35.1 1.0
N A:GLY432 4.8 27.7 1.0
N A:ILE431 4.9 30.7 1.0
C A:CYS430 5.0 29.6 1.0

Reference:

A.Debnath, C.M.Calvet, G.Jennings, W.Zhou, A.Aksenov, M.R.Luth, R.Abagyan, W.D.Nes, J.H.Mckerrow, L.M.Podust. CYP51 Is An Essential Drug Target For the Treatment of Primary Amoebic Meningoencephalitis (Pam). Plos Negl Trop Dis V. 11 06104 2017.
ISSN: ESSN 1935-2735
PubMed: 29284029
DOI: 10.1371/JOURNAL.PNTD.0006104
Page generated: Sun Dec 13 16:20:59 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy