Chlorine in PDB 5uax: Structure of Apo Human Pycr-1 Crystallized in Space Group C2

All present enzymatic activity of Structure of Apo Human Pycr-1 Crystallized in Space Group C2:
1.5.1.2;

The structure of Structure of Apo Human Pycr-1 Crystallized in Space Group C2, PDB code: 5uax was solved by J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.35 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.850, 120.690, 88.140, 90.00, 109.25, 90.00
R / Rfree (%)	17.2 / 20

The binding sites of Chlorine atom in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2 (pdb code 5uax). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2, PDB code: 5uax:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Apo Human Pycr-1 Crystallized in Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:25.3 occ:1.00 OG1 A:THR124 3.0 23.2 0.5 O A:HOH554 3.0 20.0 1.0 OG1 A:THR124 3.1 20.2 0.5 N A:THR124 3.2 20.4 1.0 CB A:THR124 3.6 20.0 0.5 CB A:PRO178 3.7 13.4 1.0 CG A:PRO178 3.7 16.4 1.0 CG2 A:THR124 3.7 23.0 0.5 CB A:ASN123 3.8 19.9 1.0 CB A:THR124 3.8 21.7 0.5 CG1 B:VAL231 3.8 29.1 1.0 CB B:VAL231 3.9 25.4 1.0 CD A:PRO125 4.0 17.4 1.0 CA A:THR124 4.0 20.2 0.5 CA A:THR124 4.0 19.9 0.5 O A:GLY175 4.1 21.6 1.0 C A:ASN123 4.1 21.5 1.0 CA A:ASN123 4.1 20.3 1.0 CD A:PRO178 4.2 21.2 1.0 CG2 B:VAL231 4.3 23.7 1.0 O B:HOH509 4.4 22.4 1.0 CG A:ASN123 4.8 17.8 1.0 N A:PRO125 4.9 19.0 1.0 C A:THR124 4.9 18.3 1.0 CA A:PRO178 4.9 16.4 1.0 CG2 A:THR124 5.0 22.0 0.5

Chlorine binding site 2 out of 5 in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Apo Human Pycr-1 Crystallized in Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:34.7 occ:1.00 O B:HOH572 2.9 28.0 1.0 OG1 B:THR124 2.9 22.2 0.6 N B:THR124 3.0 19.6 1.0 OG1 B:THR124 3.1 18.9 0.4 CB B:THR124 3.5 21.0 0.6 CG B:PRO178 3.5 20.1 1.0 CG2 B:THR124 3.6 22.3 0.4 CB B:ASN123 3.6 17.6 1.0 O B:GLY175 3.7 18.6 1.0 CB B:PRO178 3.7 17.6 1.0 CB B:THR124 3.7 21.9 0.4 CB A:VAL231 3.8 30.2 1.0 CG1 A:VAL231 3.8 28.6 1.0 CA B:THR124 3.9 21.7 0.6 CA B:THR124 3.9 21.2 0.4 CA B:ASN123 4.0 19.6 1.0 C B:ASN123 4.0 21.0 1.0 CD B:PRO125 4.0 16.1 1.0 CD B:PRO178 4.0 18.2 1.0 O A:HOH507 4.1 30.0 1.0 CG2 A:VAL231 4.3 21.9 1.0 CG B:ASN123 4.7 17.9 1.0 C B:GLY175 4.9 21.5 1.0 CG2 B:THR124 4.9 23.0 0.6 N B:PRO125 4.9 18.6 1.0 C B:THR124 4.9 18.6 1.0 CA B:PRO178 4.9 13.6 1.0 N B:PRO178 5.0 15.7 1.0

Chlorine binding site 3 out of 5 in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Apo Human Pycr-1 Crystallized in Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:28.1 occ:1.00 OG1 C:THR124 3.0 23.3 0.6 O C:HOH525 3.0 24.1 1.0 OG1 C:THR124 3.0 19.5 0.4 N C:THR124 3.1 24.2 1.0 CB C:THR124 3.4 21.4 0.6 CG C:PRO178 3.7 20.6 1.0 CB C:PRO178 3.7 20.4 1.0 CG1 D:VAL231 3.7 33.7 1.0 CB C:ASN123 3.7 20.0 1.0 CB C:THR124 3.7 22.2 0.4 CG2 C:THR124 3.7 23.6 0.4 CB D:VAL231 3.8 30.8 1.0 CD C:PRO125 3.9 18.1 1.0 CA C:THR124 3.9 22.2 0.6 O C:GLY175 4.0 23.0 1.0 CA C:THR124 4.0 22.3 0.4 C C:ASN123 4.1 21.8 1.0 CA C:ASN123 4.1 22.0 1.0 CD C:PRO178 4.1 19.8 1.0 O D:HOH507 4.4 29.4 1.0 CG2 D:VAL231 4.4 25.0 1.0 CG C:ASN123 4.8 23.4 1.0 N C:PRO125 4.8 22.9 1.0 CG2 C:THR124 4.8 22.4 0.6 C C:THR124 4.9 21.5 1.0 CA C:PRO178 5.0 21.4 1.0 CG C:PRO125 5.0 17.9 1.0

Chlorine binding site 4 out of 5 in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Apo Human Pycr-1 Crystallized in Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:29.1 occ:1.00 O D:HOH556 2.9 26.9 1.0 OG1 D:THR124 3.0 31.0 1.0 N D:THR124 3.1 21.1 1.0 CB D:THR124 3.4 26.4 1.0 CG1 C:VAL231 3.5 35.8 1.0 CG D:PRO178 3.7 19.5 1.0 CB D:PRO178 3.7 18.8 1.0 CB D:ASN123 3.8 19.4 1.0 CB C:VAL231 3.8 29.1 1.0 CA D:THR124 3.9 21.6 1.0 O D:GLY175 3.9 21.1 1.0 CD D:PRO125 4.0 21.3 1.0 C D:ASN123 4.1 22.9 1.0 CD D:PRO178 4.1 21.5 1.0 CA D:ASN123 4.1 23.2 1.0 O C:HOH501 4.3 27.4 1.0 CG2 C:VAL231 4.4 29.8 1.0 CG2 D:THR124 4.8 28.8 1.0 CG D:ASN123 4.9 22.4 1.0 C D:THR124 4.9 22.7 1.0 N D:PRO125 4.9 22.2 1.0 CA D:PRO178 5.0 19.1 1.0

Chlorine binding site 5 out of 5 in the Structure of Apo Human Pycr-1 Crystallized in Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Apo Human Pycr-1 Crystallized in Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:36.8 occ:1.00 OG1 E:THR124 2.9 41.7 1.0 N E:THR124 3.1 29.5 1.0 O E:HOH529 3.1 34.6 1.0 CB E:THR124 3.3 37.6 1.0 CG E:PRO178 3.6 27.4 1.0 CB E:PRO178 3.7 28.0 1.0 CA E:THR124 3.8 32.2 1.0 CB E:ASN123 3.8 27.9 1.0 CD E:PRO125 3.9 28.1 1.0 O E:GLY175 4.0 28.4 1.0 C E:ASN123 4.1 30.2 1.0 CA E:ASN123 4.2 29.4 1.0 CD E:PRO178 4.2 26.6 1.0 CG2 E:THR124 4.7 44.1 1.0 N E:PRO125 4.8 31.7 1.0 C E:THR124 4.8 34.7 1.0 CG E:ASN123 4.8 31.1 1.0 CA E:PRO178 5.0 27.2 1.0

E.M.Christensen, S.M.Patel, D.A.Korasick, A.C.Campbell, K.L.Krause, D.F.Becker, J.J.Tanner. Resolving the Cofactor-Binding Site in the Proline Biosynthetic Enzyme Human Pyrroline-5-Carboxylate Reductase 1. J. Biol. Chem. V. 292 7233 2017.
ISSN: ESSN 1083-351X
PubMed: 28258219
DOI: 10.1074/JBC.M117.780288