Chlorine in PDB 5za7: Upa-Hma

All present enzymatic activity of Upa-Hma:
3.4.21.73;

The structure of Upa-Hma, PDB code: 5za7 was solved by B.J.Buckley, L.G.Jiang, M.D.Huang, M.J.Kelso, M.Ranson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.80 / 1.70
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	120.462, 120.462, 42.355, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 22.7

The binding sites of Chlorine atom in the Upa-Hma (pdb code 5za7). 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 Upa-Hma, PDB code: 5za7:

Chlorine binding site 1 out of 1 in the Upa-Hma


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Upa-Hma within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:32.5 occ:1.00 CL1 U:HMX301 0.0 32.5 1.0 C1 U:HMX301 1.8 25.9 1.0 N2 U:HMX301 2.6 23.3 1.0 C2 U:HMX301 2.8 27.0 1.0 C6 U:HMX301 2.8 33.7 1.0 N4 U:HMX301 3.2 31.5 1.0 O U:HOH479 3.8 37.7 1.0 C4 U:HMX301 3.9 22.2 1.0 N1 U:HMX301 4.0 23.3 1.0 O U:GLY219 4.1 21.8 1.0 SG U:CYS220 4.2 21.9 1.0 C7 U:HMX301 4.2 35.7 1.0 O U:HOH483 4.3 28.1 1.0 CA U:GLY219 4.4 22.0 1.0 C U:GLY219 4.4 22.4 1.0 O U:GLY216 4.4 23.5 1.0 N U:GLY219 4.5 23.1 1.0 C3 U:HMX301 4.5 21.7 1.0 CB U:GLN192 4.5 22.5 1.0 N U:GLN192 4.5 19.8 1.0 C11 U:HMX301 4.6 32.8 1.0 C8 U:HMX301 4.8 37.0 1.0 N5 U:HMX301 4.9 21.3 1.0 CA U:GLN192 4.9 20.7 1.0 C5 U:HMX301 5.0 22.4 1.0

B.J.Buckley, A.Aboelela, E.Minaei, L.X.Jiang, Z.Xu, U.Ali, K.Fildes, C.Y.Cheung, S.M.Cook, D.C.Johnson, D.A.Bachovchin, G.M.Cook, M.Apte, M.Huang, M.Ranson, M.J.Kelso. 6-Substituted Hexamethylene Amiloride (Hma) Derivatives As Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator For Use in Cancer. J. Med. Chem. V. 61 8299 2018.
ISSN: ISSN 1520-4804
PubMed: 30130401
DOI: 10.1021/ACS.JMEDCHEM.8B00838