Chlorine in PDB 2ony: Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy

All present enzymatic activity of Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy:
2.1.1.28;

The structure of Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy, PDB code: 2ony was solved by N.Drinkwater, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.58 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	93.960, 93.960, 188.030, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.8

The binding sites of Chlorine atom in the Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy (pdb code 2ony). 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 Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy, PDB code: 2ony:

Chlorine binding site 1 out of 1 in the Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hpnmt with Inhibitor 7-(N-4-Chlorophenylaminosulfonyl)- Thiq and Adohcy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:78.9 occ:1.00 CL1 A:TMJ2001 0.0 78.9 1.0 C14 A:TMJ2001 1.7 78.9 1.0 C15 A:TMJ2001 2.7 78.1 1.0 C13 A:TMJ2001 2.7 76.3 1.0 O A:GLY54 3.5 49.0 1.0 CA A:GLY54 3.7 49.5 1.0 CB A:LYS57 3.7 54.8 1.0 CE2 A:TYR126 3.8 54.3 1.0 CD1 A:TYR85 3.8 61.9 1.0 CG A:LEU58 3.9 52.3 1.0 C11 A:TMJ2001 4.0 77.4 1.0 C12 A:TMJ2001 4.0 76.8 1.0 C A:GLY54 4.0 50.2 1.0 CG A:LYS57 4.0 59.8 1.0 CE1 A:TYR85 4.1 63.2 1.0 CD2 A:TYR126 4.1 54.0 1.0 CD2 A:LEU58 4.2 49.7 1.0 CG A:TYR85 4.3 62.3 1.0 CD1 A:LEU58 4.4 52.1 1.0 N A:LEU58 4.5 56.5 1.0 C10 A:TMJ2001 4.5 78.0 1.0 O A:VAL53 4.7 53.6 1.0 CB A:TYR85 4.7 60.6 1.0 N A:GLY54 4.8 52.3 1.0 CE2 A:TYR40 4.8 49.2 1.0 CZ A:TYR85 4.8 63.8 1.0 CA A:LYS57 4.9 56.4 1.0 CZ A:TYR126 5.0 55.9 1.0

C.L.Gee, N.Drinkwater, J.D.A.Tyndall, G.L.Grunewald, Q.Wu, M.J.Mcleish, J.L.Martin. Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase J.Med.Chem. V. 50 4845 2007.
ISSN: ISSN 0022-2623
PubMed: 17845018
DOI: 10.1021/JM0703385