Chlorine in PDB 5d62: Moa-Z-Vad-Fmk Complex, Inverted Orientation

The structure of Moa-Z-Vad-Fmk Complex, Inverted Orientation, PDB code: 5d62 was solved by G.Cordara, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.41 / 1.70
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	120.998, 120.998, 99.957, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 19.8

The structure of Moa-Z-Vad-Fmk Complex, Inverted Orientation also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Moa-Z-Vad-Fmk Complex, Inverted Orientation (pdb code 5d62). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Moa-Z-Vad-Fmk Complex, Inverted Orientation, PDB code: 5d62:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Moa-Z-Vad-Fmk Complex, Inverted Orientation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Moa-Z-Vad-Fmk Complex, Inverted Orientation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:43.5 occ:1.00 O A:HOH604 2.7 48.1 1.0 N A:ASN146 3.1 14.1 1.0 CL A:CL316 3.4 42.8 1.0 CB A:ASN146 3.5 13.5 1.0 CA A:ASN146 3.6 13.9 1.0 N A:GLY145 3.6 15.5 1.0 CB A:GLU144 3.8 15.8 1.0 OE1 A:GLU144 3.8 18.0 1.0 C A:GLY145 3.9 17.7 1.0 CA A:GLY145 4.1 17.7 1.0 CG A:GLU144 4.2 14.7 1.0 C A:GLU144 4.3 16.9 1.0 CD A:GLU144 4.4 17.3 1.0 CA A:GLU144 4.5 15.3 1.0 CG A:ASN146 4.7 15.0 1.0 O A:GLY145 4.9 17.4 1.0 C2 A:FUC307 5.0 28.2 1.0

Chlorine binding site 2 out of 2 in the Moa-Z-Vad-Fmk Complex, Inverted Orientation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Moa-Z-Vad-Fmk Complex, Inverted Orientation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl316 b:42.8 occ:1.00 N A:GLY145 2.9 15.5 1.0 CL A:CL315 3.4 43.5 1.0 CA A:GLU144 3.5 15.3 1.0 C A:GLU144 3.7 16.9 1.0 CB A:GLU144 3.8 15.8 1.0 CA A:GLY145 3.8 17.7 1.0 C A:GLY145 4.8 17.7 1.0 N A:ASN146 4.8 14.1 1.0 N A:GLU144 4.9 15.2 1.0 O A:GLU144 4.9 17.2 1.0 O A:ASP143 5.0 16.3 1.0

G.Cordara, A.Van Eerde, E.M.Grahn, H.C.Winter, I.J.Goldstein, U.Krengel. An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius Oreades Agglutinin (Moa) with A Caspase Inhibitor. Plos One V. 11 49407 2016.
ISSN: ESSN 1932-6203
PubMed: 26901797
DOI: 10.1371/JOURNAL.PONE.0149407