Chlorine in PDB 4hxx: Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1

All present enzymatic activity of Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1:
3.4.11.18;

The structure of Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1, PDB code: 4hxx was solved by S.B.Gabelli, F.Zhang, J.Liu, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.33 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.500, 77.403, 48.068, 90.00, 90.92, 90.00
R / Rfree (%)	19 / 25.8

The structure of Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1 also contains other interesting chemical elements:

Cobalt	(Co)	3 atoms
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1 (pdb code 4hxx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1, PDB code: 4hxx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:50.4 occ:1.00 CL8 A:1AY405 0.0 50.4 1.0 C7 A:1AY405 1.8 54.0 1.0 C1 A:1AY405 2.7 53.6 1.0 C6 A:1AY405 2.7 54.1 1.0 CG A:PHE198 3.2 31.9 1.0 CD1 A:PHE198 3.4 29.3 1.0 CB A:PHE198 3.5 33.1 1.0 CD2 A:PHE198 3.5 27.9 1.0 CE1 A:PHE198 3.9 27.8 1.0 SG A:CYS203 3.9 32.0 1.0 N2 A:1AY405 4.0 55.1 1.0 CB A:PRO192 4.0 31.8 1.0 C5 A:1AY405 4.0 53.6 1.0 CE2 A:PHE198 4.1 29.3 1.0 O A:PRO192 4.1 34.4 1.0 CA A:PRO192 4.2 33.3 1.0 CZ A:PHE198 4.2 26.1 1.0 CZ3 A:TRP353 4.4 40.3 1.0 C3 A:1AY405 4.5 54.4 1.0 CH2 A:TRP353 4.6 40.4 1.0 C A:PRO192 4.6 33.8 1.0 CD2 A:TYR195 4.6 36.4 1.0 O A:TYR195 4.7 37.0 1.0 CE3 A:TRP353 4.8 36.7 1.0 CB A:TYR195 4.8 37.3 1.0 CG A:PRO192 4.8 30.5 1.0

Chlorine binding site 2 out of 2 in the Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:58.2 occ:1.00 CL2 A:1AY405 0.0 58.2 1.0 C21 A:1AY405 1.8 53.5 1.0 C23 A:1AY405 2.7 53.2 1.0 C10 A:1AY405 2.8 53.9 1.0 C24 A:1AY405 3.0 52.0 1.0 N11 A:1AY405 3.1 54.7 1.0 O A:CYS301 3.8 36.2 1.0 N25 A:1AY405 4.0 51.8 1.0 N9 A:1AY405 4.0 53.1 1.0 CD2 A:HIS310 4.2 37.3 1.0 C4 A:1AY405 4.5 52.8 1.0 CB A:HIS303 4.5 38.4 1.0 C12 A:1AY405 4.5 56.0 1.0 N A:CYS301 4.6 38.5 1.0 CG A:HIS310 4.7 38.0 1.0 C A:CYS301 4.7 37.8 1.0 CD2 A:HIS303 4.7 30.7 1.0 C26 A:1AY405 4.7 74.4 1.0 CG A:HIS303 4.8 32.4 1.0 CB A:HIS310 4.8 38.7 1.0 NE2 A:HIS310 5.0 33.9 1.0

P.Zhang, X.Yang, F.Zhang, S.B.Gabelli, R.Wang, Y.Zhang, S.Bhat, X.Chen, M.Furlani, L.M.Amzel, J.O.Liu, D.Ma. Pyridinylpyrimidines Selectively Inhibit Human Methionine Aminopeptidase-1. Bioorg.Med.Chem. V. 21 2600 2013.
ISSN: ISSN 0968-0896
PubMed: 23507151
DOI: 10.1016/J.BMC.2013.02.023