Chlorine in PDB 2bja: Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh

All present enzymatic activity of Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh:
1.5.1.12;

The structure of Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh, PDB code: 2bja was solved by E.Inagaki, T.H.Tahirov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.29 / 1.9
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.007, 102.007, 278.319, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.2

The binding sites of Chlorine atom in the Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh (pdb code 2bja). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh, PDB code: 2bja:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1519 b:34.0 occ:1.00 ND1 A:HIS465 2.8 24.6 0.5 ND1 A:HIS465 3.1 21.9 0.5 NZ B:LYS510 3.4 18.0 1.0 O B:HOH2052 3.4 36.2 1.0 CE1 A:HIS465 3.5 25.4 0.5 CD B:LYS510 3.8 18.4 1.0 CG A:HIS465 3.9 24.0 0.5 CA A:HIS465 3.9 20.4 1.0 CE B:LYS510 3.9 17.9 1.0 O A:ARG462 3.9 25.4 1.0 CE1 A:HIS465 4.0 21.5 0.5 CE1 A:PHE488 4.0 17.2 1.0 CG A:HIS465 4.1 22.8 0.5 CB A:HIS465 4.2 21.8 1.0 O A:PHE464 4.3 18.4 1.0 N A:HIS465 4.5 18.4 1.0 C A:PHE464 4.6 20.6 1.0 C A:ARG462 4.7 24.0 1.0 NE2 A:HIS465 4.7 25.1 0.5 C A:HIS465 4.8 19.1 1.0 CZ A:PHE488 4.8 16.4 1.0 CD1 A:PHE488 4.8 17.4 1.0 O A:HOH2367 4.8 41.3 1.0 N A:VAL466 4.9 18.6 1.0 CD2 A:HIS465 4.9 25.1 0.5 CG1 B:VAL172 4.9 22.9 1.0 CG2 B:VAL172 5.0 19.5 1.0 CG B:LYS510 5.0 17.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Nadh within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1519 b:35.1 occ:1.00 ND1 B:HIS465 2.8 24.2 0.5 ND1 B:HIS465 3.0 27.1 0.5 NZ A:LYS510 3.4 18.4 1.0 CE1 B:HIS465 3.5 24.7 0.5 O B:ARG462 3.8 27.0 1.0 CD A:LYS510 3.8 16.3 1.0 CE1 B:HIS465 3.9 27.2 0.5 CG B:HIS465 3.9 24.0 0.5 CA B:HIS465 3.9 22.0 1.0 CG B:HIS465 4.0 26.1 0.5 CE A:LYS510 4.0 16.9 1.0 CE1 B:PHE488 4.1 15.1 1.0 CB B:HIS465 4.2 23.9 1.0 O B:PHE464 4.3 18.4 1.0 N B:HIS465 4.5 20.4 1.0 C B:PHE464 4.6 20.6 1.0 C B:ARG462 4.6 24.8 1.0 NE2 B:HIS465 4.8 23.8 0.5 CD1 B:PHE488 4.8 16.6 1.0 C B:HIS465 4.8 21.2 1.0 CZ B:PHE488 4.9 16.7 1.0 N B:VAL466 4.9 20.0 1.0 CD2 B:HIS465 4.9 24.2 0.5 CG1 A:VAL172 5.0 22.7 1.0 CG2 A:VAL172 5.0 22.6 1.0

E.Inagaki, N.Ohshima, H.Takahashi, C.Kuroishi, S.Yokoyama, T.H.Tahirov. Crystal Structure of Thermus Thermophilus DELTA1-Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol. V. 362 490 2006.
ISSN: ISSN 0022-2836
PubMed: 16934832
DOI: 10.1016/J.JMB.2006.07.048