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Iron in PDB 6h1h: Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720)

Enzymatic activity of Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720)

All present enzymatic activity of Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720):
1.13.11.24;

Protein crystallography data

The structure of Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720), PDB code: 6h1h was solved by S.Ali, Y.V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.00 / 1.54
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.300, 67.408, 107.681, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 18.3

Other elements in 6h1h:

The structure of Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720) also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720) (pdb code 6h1h). 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 Pirin in Complex with Compound 7 (PLX4720), PDB code: 6h1h:

Iron binding site 1 out of 1 in 6h1h

Go back to Iron Binding Sites List in 6h1h
Iron binding site 1 out of 1 in the Crystal Structure of Human Pirin in Complex with Compound 7 (PLX4720)


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 Pirin in Complex with Compound 7 (PLX4720) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:15.2
occ:1.00
 NE2 A:HIS58 2.2 15.9 1.0
O A:HOH505 2.2 16.5 1.0
NE2 A:HIS101 2.2 14.6 1.0
NE2 A:HIS56 2.2 14.6 1.0
OE2 A:GLU103 2.2 16.0 1.0
O A:HOH485 2.2 16.6 1.0
CE1 A:HIS101 3.1 14.4 1.0
CD A:GLU103 3.1 18.3 1.0
CD2 A:HIS56 3.2 15.4 1.0
CE1 A:HIS58 3.2 16.6 1.0
CE1 A:HIS56 3.2 15.0 1.0
CD2 A:HIS58 3.2 16.1 1.0
CD2 A:HIS101 3.3 15.4 1.0
OE1 A:GLU103 3.6 17.8 1.0
O2 A:FJE302 4.1 17.5 0.1
O2 A:FJE302 4.1 17.5 0.6
ND1 A:HIS101 4.3 15.1 1.0
ND1 A:HIS56 4.3 16.3 1.0
CG A:GLU103 4.3 15.6 1.0
CG A:HIS58 4.3 15.4 1.0
CG A:HIS56 4.3 15.5 1.0
ND1 A:HIS58 4.3 17.1 1.0
OE1 A:GLN115 4.3 14.9 1.0
CG A:HIS101 4.4 14.4 1.0
NE2 A:GLN115 4.7 15.4 1.0
OG1 A:THR63 4.8 16.1 1.0
CG2 A:THR63 4.8 14.6 1.0
C15 A:FJE302 4.9 13.2 0.6
C15 A:FJE302 4.9 16.3 0.1
F1 A:FJE302 5.0 19.5 0.1
F A:FJE302 5.0 27.4 0.6
CD A:GLN115 5.0 18.7 1.0

Reference:

J.Meyers, N.E.A.Chessum, S.Ali, N.Y.Mok, B.Wilding, A.E.Pasqua, M.Rowlands, M.J.Tucker, L.E.Evans, C.S.Rye, L.O'fee, Y.V.Le Bihan, R.Burke, M.Carter, P.Workman, J.Blagg, N.Brown, R.L.M.Van Montfort, K.Jones, M.D.Cheeseman. Privileged Structures and Polypharmacology Within and Between Protein Families. Acs Med Chem Lett V. 9 1199 2018.
ISSN: ISSN 1948-5875
PubMed: 30613326
DOI: 10.1021/ACSMEDCHEMLETT.8B00364
Page generated: Tue Aug 6 20:26:04 2024

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