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Iron in PDB 3s7s: Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane

Enzymatic activity of Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane

All present enzymatic activity of Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane:
1.14.14.1;

Protein crystallography data

The structure of Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane, PDB code: 3s7s was solved by D.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 121.79 / 3.21
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 140.626, 140.626, 119.024, 90.00, 90.00, 120.00
R / Rfree (%) 22.1 / 25.6

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane (pdb code 3s7s). 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 Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane, PDB code: 3s7s:

Iron binding site 1 out of 1 in 3s7s

Go back to Iron Binding Sites List in 3s7s
Iron binding site 1 out of 1 in the Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Placental Aromatase Complexed with Breast Cancer Drug Exemestane within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe600

b:61.0
occ:1.00
 FE A:HEM600 0.0 61.0 1.0
NA A:HEM600 2.0 58.8 1.0
NB A:HEM600 2.0 60.4 1.0
NC A:HEM600 2.0 58.8 1.0
ND A:HEM600 2.1 58.4 1.0
SG A:CYS437 2.5 75.9 1.0
C1B A:HEM600 3.0 61.1 1.0
C4A A:HEM600 3.0 59.4 1.0
C4B A:HEM600 3.0 61.0 1.0
C1A A:HEM600 3.0 59.2 1.0
C4C A:HEM600 3.1 58.5 1.0
C1C A:HEM600 3.1 59.6 1.0
C1D A:HEM600 3.1 57.3 1.0
C4D A:HEM600 3.1 58.4 1.0
CHB A:HEM600 3.4 59.7 1.0
CHC A:HEM600 3.4 59.7 1.0
CHA A:HEM600 3.4 58.8 1.0
CHD A:HEM600 3.4 57.6 1.0
CB A:CYS437 3.6 76.6 1.0
C19 A:EXM601 3.9 75.0 1.0
C2B A:HEM600 4.2 62.2 1.0
C3B A:HEM600 4.2 62.5 1.0
C2A A:HEM600 4.2 60.0 1.0
C3A A:HEM600 4.2 59.8 1.0
CA A:CYS437 4.3 76.7 1.0
C3C A:HEM600 4.3 59.4 1.0
C2C A:HEM600 4.3 59.6 1.0
C3D A:HEM600 4.3 58.1 1.0
C2D A:HEM600 4.4 56.9 1.0
C1 A:EXM601 4.4 75.2 1.0
N A:GLY439 4.9 78.1 1.0
N A:ALA438 4.9 77.0 1.0
C10 A:EXM601 4.9 75.0 1.0
C A:CYS437 4.9 76.7 1.0

Reference:

D.Ghosh, J.Lo, D.Morton, D.Valette, J.Xi, J.Griswold, S.Hubbell, C.Egbuta, W.Jiang, J.An, H.M.Davies. Novel Aromatase Inhibitors By Structure-Guided Design. J.Med.Chem. V. 55 8464 2012.
ISSN: ISSN 0022-2623
PubMed: 22951074
DOI: 10.1021/JM300930N
Page generated: Sun Aug 4 19:52:43 2024

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