Fluorine in PDB 8qq4: LTA4 Hydrolase in Complex with Compound 6(R)

Enzymatic activity of LTA4 Hydrolase in Complex with Compound 6(R)

All present enzymatic activity of LTA4 Hydrolase in Complex with Compound 6(R):
3.3.2.6;

Protein crystallography data

The structure of LTA4 Hydrolase in Complex with Compound 6(R), PDB code: 8qq4 was solved by H.Srinivas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.07 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.071, 87.08, 99.335, 90, 90, 90
R / Rfree (%) 17.3 / 19.8

Other elements in 8qq4:

The structure of LTA4 Hydrolase in Complex with Compound 6(R) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Ytterbium (Yb) 3 atoms
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the LTA4 Hydrolase in Complex with Compound 6(R) (pdb code 8qq4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the LTA4 Hydrolase in Complex with Compound 6(R), PDB code: 8qq4:

Fluorine binding site 1 out of 1 in 8qq4

Go back to Fluorine Binding Sites List in 8qq4
Fluorine binding site 1 out of 1 in the LTA4 Hydrolase in Complex with Compound 6(R)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of LTA4 Hydrolase in Complex with Compound 6(R) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F708

b:22.9
occ:1.00
F25 A:WEE708 0.0 22.9 1.0
C4 A:WEE708 1.3 19.9 1.0
C5 A:WEE708 2.3 17.8 1.0
C3 A:WEE708 2.4 19.6 1.0
O7 A:WEE708 2.6 17.4 1.0
CB A:TRP312 3.1 14.7 1.0
CD1 A:LEU370 3.5 25.0 1.0
CG A:TRP312 3.5 14.4 1.0
CB A:PRO375 3.5 16.4 1.0
N6 A:WEE708 3.5 18.0 1.0
C8 A:WEE708 3.6 16.8 1.0
C2 A:WEE708 3.6 19.9 1.0
CE3 A:TRP312 3.7 14.7 1.0
CD2 A:TRP312 3.8 14.1 1.0
C13 A:WEE708 3.9 16.4 1.0
O A:TRP312 3.9 13.8 1.0
C1 A:WEE708 4.0 19.0 1.0
CA A:TRP312 4.1 14.5 1.0
CG A:PRO375 4.2 17.0 1.0
CB A:ALA138 4.3 15.2 1.0
CA A:PRO375 4.3 15.0 1.0
C A:TRP312 4.4 14.4 1.0
CD1 A:TRP312 4.6 15.2 1.0
CB A:PHE315 4.6 13.2 1.0
CZ3 A:TRP312 4.7 16.1 1.0
CG A:PHE315 4.8 13.6 1.0
C9 A:WEE708 4.8 16.5 1.0
O A:PRO375 4.9 16.7 1.0
CE2 A:TRP312 4.9 14.6 1.0
CG A:LEU370 4.9 23.4 1.0
C A:PRO375 5.0 15.3 1.0

Reference:

G.Thoma, C.Markert, R.Lueoend, W.Miltz, C.Spanka, B.Bollbuck, R.M.Wolf, H.Srinivas, C.A.Penno, M.Kiffe, M.Gajewska, D.Bednarczyk, G.Wieczorek, A.Evans, C.Beerli, T.A.Rohn. Discovery of Amino Alcohols As Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 38015154
DOI: 10.1021/ACS.JMEDCHEM.3C01866
Page generated: Fri Aug 2 22:31:08 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy