Chlorine in PDB 4yn3: Crystal Structure of Cucumisin Complex with Pro-Peptide

All present enzymatic activity of Crystal Structure of Cucumisin Complex with Pro-Peptide:
3.4.21.25;

The structure of Crystal Structure of Cucumisin Complex with Pro-Peptide, PDB code: 4yn3 was solved by K.Murayama, M.Kato-Murayama, S.Yokoyama, K.Arima, M.Shirouzu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.56 / 1.95
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	97.738, 97.738, 73.433, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of Cucumisin Complex with Pro-Peptide (pdb code 4yn3). 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 Cucumisin Complex with Pro-Peptide, PDB code: 4yn3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cucumisin Complex with Pro-Peptide


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 Cucumisin Complex with Pro-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl809 b:49.2 occ:0.50 O A:HOH1015 3.0 52.4 1.0 N A:ILE190 3.1 34.4 1.0 CA A:PRO189 3.4 35.6 1.0 CG2 A:ILE190 3.7 34.6 1.0 C A:PRO189 3.7 36.6 1.0 O A:HOH1042 3.8 54.9 1.0 CG1 A:ILE190 3.9 36.2 1.0 CB A:PRO189 4.0 38.3 1.0 CB A:ILE190 4.1 35.3 1.0 CA A:ILE190 4.2 36.2 1.0 O A:ARG188 4.4 35.5 1.0 N A:PRO189 4.6 35.5 1.0 CD1 A:ILE190 4.6 36.5 1.0 ND2 A:ASN196 4.8 43.5 1.0 C A:ARG188 4.9 35.2 1.0 O A:PRO189 5.0 36.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cucumisin Complex with Pro-Peptide


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 Cucumisin Complex with Pro-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl810 b:60.5 occ:1.00 N A:THR168 3.5 37.8 1.0 OG A:SER169 3.6 42.7 1.0 O A:HOH932 3.6 45.7 1.0 N A:SER169 3.8 38.5 1.0 OG1 A:THR168 3.9 44.4 1.0 CB A:GLU167 4.0 33.9 1.0 CA A:GLU167 4.0 36.8 1.0 CG A:GLU167 4.2 34.3 1.0 C A:GLU167 4.2 37.0 1.0 CB A:SER169 4.3 39.4 1.0 CA A:THR168 4.4 39.7 1.0 C A:THR168 4.6 38.8 1.0 CA A:SER169 4.6 37.7 1.0 CB A:THR168 4.8 41.0 1.0

A.Sotokawauchi, M.Kato-Murayama, K.Murayama, T.Hosaka, I.Maeda, M.Onjo, N.Ohsawa, D.I.Kato, K.Arima, M.Shirouzu. Structural Basis of Cucumisin Protease Activity Regulation By Its Propeptide J. Biochem. V. 161 45 2017.
ISSN: ISSN 1756-2651
PubMed: 27616715
DOI: 10.1093/JB/MVW053