Chlorine in PDB 4qv5: Ycp BETA5-M45I Mutant

All present enzymatic activity of Ycp BETA5-M45I Mutant:
3.4.25.1;

The structure of Ycp BETA5-M45I Mutant, PDB code: 4qv5 was solved by E.M.Huber, W.Heinemeyer, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	134.400, 301.140, 144.120, 90.00, 112.72, 90.00
R / Rfree (%)	18.9 / 21.7

The structure of Ycp BETA5-M45I Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

7 atoms

The binding sites of Chlorine atom in the Ycp BETA5-M45I Mutant (pdb code 4qv5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ycp BETA5-M45I Mutant, PDB code: 4qv5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ycp BETA5-M45I Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ycp BETA5-M45I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:42.2 occ:1.00 OH H:TYR69 2.9 40.4 1.0 NH1 G:ARG111 3.0 42.0 1.0 OD1 G:ASN114 3.3 48.3 1.0 CB G:ASN114 3.7 39.9 1.0 CD G:ARG111 3.7 39.8 1.0 CE2 H:TYR69 3.7 39.3 1.0 CZ H:TYR69 3.7 39.5 1.0 CG G:ASN114 3.8 42.5 1.0 CZ G:ARG111 4.1 41.7 1.0 NE G:ARG111 4.3 41.7 1.0 CA G:ARG111 4.7 38.6 1.0 O G:ARG111 4.8 40.4 1.0 CG G:ARG111 5.0 38.7 1.0 ND2 G:ASN114 5.0 41.7 1.0

Chlorine binding site 2 out of 2 in the Ycp BETA5-M45I Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ycp BETA5-M45I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:42.6 occ:1.00 OH V:TYR69 2.9 46.6 1.0 NH1 U:ARG111 3.0 47.8 1.0 OD1 U:ASN114 3.2 52.1 1.0 CB U:ASN114 3.6 45.5 1.0 CE2 V:TYR69 3.7 48.5 1.0 CD U:ARG111 3.7 44.8 1.0 CZ V:TYR69 3.7 47.9 1.0 CG U:ASN114 3.8 48.9 1.0 CZ U:ARG111 4.1 47.2 1.0 NE U:ARG111 4.4 47.2 1.0 O U:HOH419 4.7 50.2 1.0 CA U:ARG111 4.7 43.3 1.0 O U:ARG111 4.8 42.7 1.0 ND2 U:ASN114 4.9 50.2 1.0 CD2 V:TYR69 5.0 48.2 1.0

E.M.Huber, W.Heinemeyer, M.Groll. Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and Onx 0914. Structure 2015.
ISSN: ISSN 0969-2126
PubMed: 25599643
DOI: 10.1016/J.STR.2014.11.019