Chlorine in PDB 4qv6: Ycp BETA5-A49V Mutant

All present enzymatic activity of Ycp BETA5-A49V Mutant:
3.4.25.1;

The structure of Ycp BETA5-A49V Mutant, PDB code: 4qv6 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 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	134.580, 299.750, 144.660, 90.00, 112.52, 90.00
R / Rfree (%)	20.1 / 23.1

The structure of Ycp BETA5-A49V Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Chlorine atom in the Ycp BETA5-A49V Mutant (pdb code 4qv6). 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-A49V Mutant, PDB code: 4qv6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ycp BETA5-A49V 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-A49V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:46.0 occ:1.00 OH H:TYR69 2.9 40.6 1.0 NH1 G:ARG111 3.1 38.4 1.0 OD1 G:ASN114 3.1 41.8 1.0 CB G:ASN114 3.6 39.2 1.0 CG G:ASN114 3.7 39.0 1.0 CE2 H:TYR69 3.7 42.7 1.0 CZ H:TYR69 3.7 42.1 1.0 CD G:ARG111 3.7 39.1 1.0 CZ G:ARG111 4.1 39.4 1.0 NE G:ARG111 4.3 39.2 1.0 CA G:ARG111 4.6 41.4 1.0 O G:ARG111 4.8 43.4 1.0 ND2 G:ASN114 4.8 38.7 1.0 OD2 A:ASP87 5.0 48.0 1.0 CD2 H:TYR69 5.0 42.3 1.0 CE1 H:TYR69 5.0 42.4 1.0 CG G:ARG111 5.0 39.0 1.0 O H:HOH403 5.0 27.2 1.0

Chlorine binding site 2 out of 2 in the Ycp BETA5-A49V 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-A49V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ U:Cl301 b:33.1 occ:1.00 OH V:TYR69 2.9 41.3 1.0 OD1 U:ASN114 3.0 54.7 1.0 NH1 U:ARG111 3.3 45.7 1.0 CE2 V:TYR69 3.5 43.7 1.0 CZ V:TYR69 3.6 45.4 1.0 CG U:ASN114 3.6 50.2 1.0 CB U:ASN114 3.6 46.8 1.0 CD U:ARG111 3.9 44.3 1.0 CZ U:ARG111 4.3 46.9 1.0 NE U:ARG111 4.5 45.7 1.0 CA U:ARG111 4.7 43.5 1.0 O U:HOH409 4.8 35.9 1.0 ND2 U:ASN114 4.8 49.8 1.0 OD2 O:ASP87 4.8 42.7 1.0 CD2 V:TYR69 4.8 43.1 1.0 CE1 V:TYR69 4.9 46.8 1.0 O U:ARG111 5.0 42.3 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