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Chlorine in PDB 8qpn: LTA4 Hydrolase in Complex with Compound 6(S)

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

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

Protein crystallography data

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

Resolution Low / High (Å) 19.89 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.79, 86.869, 99.022, 90, 90, 90
R / Rfree (%) 18.9 / 22.3

Other elements in 8qpn:

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

Fluorine (F) 1 atom
Ytterbium (Yb) 3 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 8qpn

Go back to Chlorine Binding Sites List in 8qpn
Chlorine binding site 1 out of 1 in the LTA4 Hydrolase in Complex with Compound 6(S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of LTA4 Hydrolase in Complex with Compound 6(S) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl708

b:29.4
occ:1.00
CL14 A:WSL708 0.0 29.4 1.0
C2 A:WSL708 1.7 28.5 1.0
C3 A:WSL708 2.7 28.5 1.0
C1 A:WSL708 2.7 28.1 1.0
O A:HOH994 3.2 29.2 1.0
O A:HOH1012 3.5 28.4 1.0
CG2 A:VAL368 3.6 28.7 1.0
O A:HOH977 3.9 24.4 1.0
CD2 A:PHE315 4.0 23.7 1.0
CG1 A:VAL368 4.0 29.4 1.0
N6 A:WSL708 4.0 27.4 1.0
O A:HOH810 4.0 28.2 1.0
C4 A:WSL708 4.0 28.9 1.0
CG A:PRO383 4.0 22.8 1.0
CB A:PHE315 4.2 22.0 1.0
CB A:PRO383 4.2 22.6 1.0
CD A:PRO383 4.4 21.5 1.0
CB A:VAL368 4.4 28.9 1.0
O A:TRP312 4.5 24.0 1.0
C5 A:WSL708 4.5 27.4 1.0
CG A:PHE315 4.5 22.7 1.0
CE2 A:PHE315 5.0 24.6 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: Sun Jul 13 13:37:33 2025

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