Chlorine in PDB 1r58: Crystal Structure of METAP2 Complexed with A357300

All present enzymatic activity of Crystal Structure of METAP2 Complexed with A357300:
3.4.11.18;

The structure of Crystal Structure of METAP2 Complexed with A357300, PDB code: 1r58 was solved by G.S.Sheppard, J.Wang, M.Kawai, N.Y.Bamaung, R.A.Craig, S.A.Ericken, L.Lynch, J.Patel, F.Yang, X.B.Searle, P.Lou, C.Park, K.H.Kim, J.Henkin, R.Lesniewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.179, 99.138, 101.065, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of METAP2 Complexed with A357300 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of METAP2 Complexed with A357300 (pdb code 1r58). 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 Crystal Structure of METAP2 Complexed with A357300, PDB code: 1r58:

Chlorine binding site 1 out of 1 in the Crystal Structure of METAP2 Complexed with A357300


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of METAP2 Complexed with A357300 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:23.6 occ:1.00 CL23 A:AO5501 0.0 23.6 1.0 C21 A:AO5501 1.7 25.5 1.0 C22 A:AO5501 2.7 25.2 1.0 C20 A:AO5501 2.8 25.6 1.0 OH A:TYR444 3.3 15.2 1.0 O A:HOH801 3.6 44.4 1.0 CB A:HIS339 3.7 21.2 1.0 CE A:MET384 4.0 13.3 1.0 O A:HOH613 4.1 31.1 1.0 C17 A:AO5501 4.1 25.5 1.0 C19 A:AO5501 4.1 26.2 1.0 CG A:HIS339 4.2 23.1 1.0 O A:HOH631 4.3 40.8 1.0 CZ A:TYR444 4.3 14.6 1.0 CE1 A:TYR444 4.6 14.7 1.0 C18 A:AO5501 4.7 26.0 1.0 CD2 A:HIS339 4.7 23.1 1.0 O A:HOH531 4.8 18.6 1.0 O A:HIS339 4.9 21.1 1.0 ND1 A:HIS339 4.9 23.2 1.0

G.S.Sheppard, J.Wang, M.Kawai, N.Y.Bamaung, R.A.Craig, S.A.Erickson, L.Lynch, J.Patel, F.Yang, X.B.Searle, P.Lou, C.Park, K.H.Kim, J.Henkin, R.Lesniewski. 3-Amino-2-Hydroxyamides and Related Compounds As Inhibitors of Methionine Aminopeptidase-2. Bioorg.Med.Chem.Lett. V. 14 865 2004.
ISSN: ISSN 0960-894X
PubMed: 15012983
DOI: 10.1016/J.BMCL.2003.12.031