Chlorine in PDB 2wdt: Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme:
3.4.19.12;

The structure of Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme, PDB code: 2wdt was solved by W.A.Weihofen, K.Artavanis-Tsakonas, R.Gaudet, H.L.Ploegh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.85 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	134.400, 75.300, 85.700, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme (pdb code 2wdt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme, PDB code: 2wdt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme


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 Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1076 b:53.4 occ:1.00 O C:HOH2007 3.3 56.9 1.0 NE B:ARG42 3.4 49.7 1.0 NE B:ARG72 3.7 49.4 1.0 NH2 B:ARG72 3.8 46.8 1.0 NH2 B:ARG42 4.0 46.9 1.0 ND2 C:ASN13 4.2 35.4 1.0 CZ B:ARG42 4.2 49.0 1.0 CZ B:ARG72 4.2 49.2 1.0 CD B:ARG42 4.3 49.0 1.0 OE1 B:GLN49 4.8 59.8 1.0 CD B:ARG72 4.8 47.1 1.0 CG C:ASN13 4.8 34.7 1.0 NE2 B:GLN49 4.9 60.5 1.0 OD1 C:ASN13 4.9 36.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Plasmodium Falciparum UCHL3 in Complex with the Suicide Inhibitor Ubvme within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1076 b:63.8 occ:1.00 NE D:ARG42 3.4 41.0 1.0 NE D:ARG72 3.7 44.4 1.0 NH2 D:ARG42 3.8 41.2 1.0 ND2 A:ASN13 3.8 44.4 1.0 CZ D:ARG42 4.1 42.1 1.0 NH2 D:ARG72 4.1 41.9 1.0 CZ D:ARG72 4.4 42.8 1.0 CD D:ARG42 4.5 40.2 1.0 OE1 D:GLN49 4.5 56.7 1.0 CD D:ARG72 4.7 44.5 1.0 CG A:ASN13 4.7 42.7 1.0 NE2 D:GLN49 4.8 53.5 1.0 OD1 A:ASN13 5.0 45.1 1.0

K.Artavanis-Tsakonas, W.A.Weihofen, J.M.Antos, B.I.Coleman, C.A.Comeaux, M.T.Duraisingh, R.Gaudet, H.L.Ploegh. Characterization and Structural Studies of the Plasmodium Falciparum Ubiquitin and NEDD8 Hydrolase UCHL3. J.Biol.Chem. V. 285 6857 2010.
ISSN: ISSN 0021-9258
PubMed: 20042598
DOI: 10.1074/JBC.M109.072405