Atomistry » Iron » PDB 3p4r-3pcn » 3p99
Atomistry »
  Iron »
    PDB 3p4r-3pcn »
      3p99 »

Iron in PDB 3p99: Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol

Enzymatic activity of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol

All present enzymatic activity of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol:
1.14.13.70;

Protein crystallography data

The structure of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol, PDB code: 3p99 was solved by G.I.Lepesheva, T.Y.Hargrove, M.R.Waterman, Z.Wawrzak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.39 / 3.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 59.610, 80.570, 115.800, 107.93, 102.43, 99.57
R / Rfree (%) 22.3 / 27.1

Iron Binding Sites:

The binding sites of Iron atom in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol (pdb code 3p99). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol, PDB code: 3p99:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3p99

Go back to Iron Binding Sites List in 3p99
Iron binding site 1 out of 4 in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe482

b:48.9
occ:1.00
FE A:HEM482 0.0 48.9 1.0
NC A:HEM482 2.0 46.0 1.0
NA A:HEM482 2.1 51.0 1.0
ND A:HEM482 2.1 51.0 1.0
NB A:HEM482 2.1 47.4 1.0
SG A:CYS422 2.4 57.8 1.0
C4C A:HEM482 3.0 46.5 1.0
C1A A:HEM482 3.1 51.9 1.0
C1C A:HEM482 3.1 44.5 1.0
C1D A:HEM482 3.1 51.4 1.0
C4D A:HEM482 3.1 56.7 1.0
C4A A:HEM482 3.1 52.5 1.0
C4B A:HEM482 3.1 43.7 1.0
C1B A:HEM482 3.1 42.5 1.0
CHD A:HEM482 3.4 47.0 1.0
CHA A:HEM482 3.4 56.5 1.0
CHC A:HEM482 3.5 43.4 1.0
CB A:CYS422 3.5 60.7 1.0
CHB A:HEM482 3.5 43.9 1.0
CBG A:LNP490 4.2 63.3 1.0
CB A:ALA291 4.2 66.8 1.0
C3C A:HEM482 4.3 46.2 1.0
C2C A:HEM482 4.3 42.8 1.0
C2A A:HEM482 4.3 52.3 1.0
C3A A:HEM482 4.3 54.3 1.0
C2D A:HEM482 4.3 55.1 1.0
C3D A:HEM482 4.3 55.1 1.0
C3B A:HEM482 4.3 42.4 1.0
C2B A:HEM482 4.3 42.4 1.0
CA A:CYS422 4.4 61.5 1.0
CBF A:LNP490 4.7 64.0 1.0
CAR A:LNP490 4.9 65.8 1.0
N A:GLY424 4.9 59.5 1.0

Iron binding site 2 out of 4 in 3p99

Go back to Iron Binding Sites List in 3p99
Iron binding site 2 out of 4 in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe482

b:50.9
occ:1.00
FE B:HEM482 0.0 50.9 1.0
NC B:HEM482 2.1 51.0 1.0
NA B:HEM482 2.1 46.7 1.0
NB B:HEM482 2.1 46.2 1.0
ND B:HEM482 2.1 47.9 1.0
SG B:CYS422 2.4 68.2 1.0
C4C B:HEM482 3.1 51.7 1.0
C4D B:HEM482 3.1 46.9 1.0
C1A B:HEM482 3.1 45.7 1.0
C1D B:HEM482 3.1 49.0 1.0
C4A B:HEM482 3.1 48.9 1.0
C1C B:HEM482 3.1 54.7 1.0
C1B B:HEM482 3.1 46.1 1.0
C4B B:HEM482 3.1 46.2 1.0
CHA B:HEM482 3.4 47.9 1.0
CHD B:HEM482 3.4 48.5 1.0
CHB B:HEM482 3.4 47.2 1.0
CHC B:HEM482 3.5 53.3 1.0
CB B:CYS422 3.5 63.8 1.0
CBG B:LNP490 3.6 62.3 0.8
C3C B:HEM482 4.3 54.4 1.0
C3A B:HEM482 4.3 49.8 1.0
C2C B:HEM482 4.3 54.9 1.0
C2A B:HEM482 4.3 45.8 1.0
C3B B:HEM482 4.3 47.1 1.0
C2B B:HEM482 4.3 49.2 1.0
C3D B:HEM482 4.3 48.3 1.0
C2D B:HEM482 4.3 49.9 1.0
CA B:CYS422 4.4 65.4 1.0
CB B:ALA291 4.4 71.1 1.0
CBF B:LNP490 4.4 63.7 0.8
O B:ALA291 4.9 71.4 1.0
CAR B:LNP490 4.9 62.5 0.8
N B:GLY424 4.9 67.1 1.0
N B:ILE423 5.0 66.5 1.0

Iron binding site 3 out of 4 in 3p99

Go back to Iron Binding Sites List in 3p99
Iron binding site 3 out of 4 in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe482

b:43.8
occ:1.00
FE C:HEM482 0.0 43.8 1.0
NB C:HEM482 2.0 40.4 1.0
NC C:HEM482 2.0 45.0 1.0
NA C:HEM482 2.1 42.4 1.0
ND C:HEM482 2.1 39.8 1.0
SG C:CYS422 2.2 45.5 1.0
C4B C:HEM482 3.0 42.8 1.0
C1C C:HEM482 3.0 43.9 1.0
C1B C:HEM482 3.1 38.7 1.0
C1A C:HEM482 3.1 43.7 1.0
C4A C:HEM482 3.1 41.3 1.0
C4C C:HEM482 3.1 46.5 1.0
C4D C:HEM482 3.1 43.4 1.0
C1D C:HEM482 3.1 43.0 1.0
CB C:CYS422 3.4 47.5 1.0
CHC C:HEM482 3.4 43.1 1.0
CHA C:HEM482 3.4 45.4 1.0
CHB C:HEM482 3.5 36.0 1.0
CHD C:HEM482 3.5 46.2 1.0
CBG C:LNP490 3.7 79.6 1.0
CA C:CYS422 4.1 47.1 1.0
C3B C:HEM482 4.2 36.6 1.0
C2B C:HEM482 4.3 38.4 1.0
C2C C:HEM482 4.3 46.5 1.0
C3C C:HEM482 4.3 44.4 1.0
C2A C:HEM482 4.3 42.3 1.0
C3A C:HEM482 4.3 46.0 1.0
CBF C:LNP490 4.3 75.3 1.0
C3D C:HEM482 4.4 49.1 1.0
C2D C:HEM482 4.4 49.9 1.0
CB C:ALA291 4.4 52.4 1.0
O C:ALA291 4.7 54.4 1.0
CAR C:LNP490 4.7 73.8 1.0
N C:GLY424 4.8 48.5 1.0
N C:ILE423 4.8 47.2 1.0
C C:CYS422 4.9 47.1 1.0
CBH C:LNP490 5.0 75.2 1.0

Iron binding site 4 out of 4 in 3p99

Go back to Iron Binding Sites List in 3p99
Iron binding site 4 out of 4 in the Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sterol 14ALPHA-Demethylase (CYP51) From Trypanosoma Brucei in Complex with DELTA7-14ALPHA-Methylene-Cyclopropyl-Dihydrolanosterol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe482

b:44.0
occ:1.00
FE D:HEM482 0.0 44.0 1.0
NA D:HEM482 2.0 38.3 1.0
NB D:HEM482 2.0 39.8 1.0
NC D:HEM482 2.1 39.6 1.0
ND D:HEM482 2.1 39.9 1.0
SG D:CYS422 2.3 44.6 1.0
C1B D:HEM482 3.1 36.9 1.0
C1A D:HEM482 3.1 39.7 1.0
C4A D:HEM482 3.1 38.0 1.0
C4B D:HEM482 3.1 35.9 1.0
C1C D:HEM482 3.1 41.0 1.0
C4C D:HEM482 3.1 39.6 1.0
C4D D:HEM482 3.1 41.2 1.0
C1D D:HEM482 3.1 41.9 1.0
CHB D:HEM482 3.4 37.2 1.0
CHC D:HEM482 3.4 38.9 1.0
CHA D:HEM482 3.4 44.9 1.0
CHD D:HEM482 3.4 43.3 1.0
CBG D:LNP490 3.6 58.1 0.8
CB D:CYS422 3.8 47.2 1.0
C2A D:HEM482 4.3 38.6 1.0
C2B D:HEM482 4.3 33.7 1.0
C3A D:HEM482 4.3 38.7 1.0
C3B D:HEM482 4.3 36.1 1.0
C3C D:HEM482 4.3 41.9 1.0
C2C D:HEM482 4.3 43.3 1.0
C2D D:HEM482 4.3 45.8 1.0
CA D:CYS422 4.3 49.0 1.0
C3D D:HEM482 4.3 42.3 1.0
CBF D:LNP490 4.4 57.8 0.8
CB D:ALA291 4.5 51.4 1.0
O D:ALA291 4.5 53.0 1.0
CAR D:LNP490 4.9 61.1 0.8
CBH D:LNP490 5.0 56.7 0.8
N D:GLY424 5.0 48.7 1.0

Reference:

T.Y.Hargrove, Z.Wawrzak, J.Liu, M.R.Waterman, W.D.Nes, G.I.Lepesheva. Structural Complex of Sterol 14ALPHA-Demethylase (CYP51) with 14ALPHA-Methylenecyclopropyl-DELTA7-24, 25-Dihydrolanosterol J.Lipid Res. V. 53 311 2012.
ISSN: ISSN 0022-2275
PubMed: 22135275
DOI: 10.1194/JLR.M021865
Page generated: Sun Dec 13 15:16:53 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