Chlorine in PDB 6xoz: Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid

All present enzymatic activity of Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid:
1.5.1.2;

The structure of Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid, PDB code: 6xoz was solved by J.J.Tanner, E.M.Christensen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.09 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.028, 120.170, 87.868, 90.00, 108.92, 90.00
R / Rfree (%)	17.7 / 22.4

The binding sites of Chlorine atom in the Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid (pdb code 6xoz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid, PDB code: 6xoz:

Chlorine binding site 1 out of 1 in the Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human PYCR1 Complexed with L-Tetrahydro-2-Furoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:33.7 occ:1.00 OG1 A:THR124 2.9 40.3 1.0 O A:HOH544 3.0 30.7 1.0 O A:HOH576 3.1 41.4 1.0 N A:THR124 3.2 24.3 1.0 CB A:ASN123 3.7 22.9 1.0 CG A:PRO178 3.7 29.1 1.0 CB A:THR124 3.8 31.0 1.0 CB A:PRO178 3.8 28.6 1.0 CG1 B:VAL231 3.8 32.7 1.0 CD A:PRO125 3.9 25.3 1.0 CG2 A:THR124 3.9 28.7 1.0 CB B:VAL231 4.0 36.9 1.0 CG2 B:VAL231 4.0 31.2 1.0 CA A:THR124 4.0 28.8 1.0 O A:HOH503 4.1 44.5 1.0 CA A:ASN123 4.1 28.7 1.0 C A:ASN123 4.1 27.2 1.0 CD A:PRO178 4.4 29.0 1.0 O A:GLY175 4.5 25.0 1.0 O B:HOH507 4.7 27.0 1.0 CG A:ASN123 4.7 29.7 1.0 N A:PRO125 4.8 26.1 1.0 C A:THR124 4.9 28.5 1.0

E.M.Christensen, A.N.Bogner, A.Vandekeere, G.S.Tam, S.M.Patel, D.F.Becker, S.M.Fendt, J.J.Tanner. In Crystallo Screening For Proline Analog Inhibitors of the Proline Cycle Enzyme PYCR1. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33109600
DOI: 10.1074/JBC.RA120.016106