Chlorine in PDB 6gq3: Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution

All present enzymatic activity of Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution:
6.3.5.4;

The structure of Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution, PDB code: 6gq3 was solved by W.Zhu, A.Radadiya, C.Bisson, Y.Jin, B.E.Nordin, T.Imasaki, S.Wenzel, S.E.Sedelnikova, A.H.Berry, T.K.Nomanbhoy, J.W.Kozarich, Y.Takagi, D.W.Rice, N.G.J.Richards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.65 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.700, 83.520, 110.290, 90.00, 90.65, 90.00
R / Rfree (%)	17.8 / 22.5

The binding sites of Chlorine atom in the Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution (pdb code 6gq3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution, PDB code: 6gq3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:13.7 occ:1.00 O A:HOH859 3.0 13.1 1.0 OH A:TYR78 3.1 11.9 1.0 NE A:ARG245 3.2 14.1 1.0 N A:VAL417 3.3 15.3 1.0 CA A:ARG416 3.7 12.3 1.0 CG1 A:VAL119 3.8 16.5 1.0 CE2 A:TYR78 3.8 13.0 1.0 CZ A:TYR78 3.9 14.8 1.0 CG2 A:VAL119 3.9 14.3 1.0 CB A:ARG416 4.0 10.8 1.0 CD A:ARG245 4.0 10.9 1.0 C A:ARG416 4.0 17.2 1.0 NH2 A:ARG245 4.0 12.9 1.0 CZ A:ARG245 4.1 13.3 1.0 CG2 A:VAL417 4.2 17.0 1.0 CG A:ARG416 4.2 15.7 1.0 O A:VAL417 4.3 13.8 1.0 CA A:VAL417 4.4 12.1 1.0 C A:VAL417 4.4 10.2 1.0 CG A:ARG245 4.5 10.6 1.0 CB A:VAL119 4.5 13.6 1.0 O A:LEU415 4.5 15.3 1.0 N A:ARG416 4.9 13.0 1.0 CB A:VAL417 4.9 12.9 1.0 CD A:ARG416 5.0 13.8 1.0

Chlorine binding site 2 out of 2 in the Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Asparagine Synthetase (Asns) in Complex with 6-Diazo-5-Oxo-L- Norleucine (Don) at 1.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:18.1 occ:1.00 O B:HOH875 3.0 17.2 1.0 OH B:TYR78 3.1 15.9 1.0 NE B:ARG245 3.2 22.0 1.0 N B:VAL417 3.3 19.2 1.0 CA B:ARG416 3.6 14.1 1.0 CB B:ARG416 3.9 18.9 1.0 CG1 B:VAL119 3.9 16.7 1.0 CE2 B:TYR78 3.9 18.7 1.0 CZ B:TYR78 3.9 23.6 1.0 CD B:ARG245 3.9 20.5 1.0 CG2 B:VAL119 4.0 14.6 1.0 C B:ARG416 4.0 15.5 1.0 NH2 B:ARG245 4.0 19.1 1.0 CG2 B:VAL417 4.1 15.1 1.0 CG B:ARG416 4.1 19.1 1.0 CZ B:ARG245 4.1 15.6 1.0 O B:VAL417 4.3 18.5 1.0 CA B:VAL417 4.3 18.2 1.0 C B:VAL417 4.4 15.4 1.0 CG B:ARG245 4.5 16.3 1.0 O B:LEU415 4.5 17.9 1.0 CB B:VAL119 4.6 22.2 1.0 N B:ARG416 4.9 19.3 1.0 CB B:VAL417 4.9 12.3 1.0 CD B:ARG416 4.9 13.7 1.0

W.Zhu, A.Radadiya, C.Bisson, S.Wenzel, B.E.Nordin, F.Martinez-Marquez, T.Imasaki, S.E.Sedelnikova, A.Coricello, P.Baumann, A.H.Berry, T.K.Nomanbhoy, J.W.Kozarich, Y.Jin, D.W.Rice, Y.Takagi, N.G.J.Richards. High-Resolution Crystal Structure of Human Asparagine Synthetase Enables Analysis of Inhibitor Binding and Selectivity. Commun Biol V. 2 345 2019.
ISSN: ESSN 2399-3642
PubMed: 31552298
DOI: 10.1038/S42003-019-0587-Z