Chlorine in PDB 2iy6: 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate

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

The structure of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate, PDB code: 2iy6 was solved by E.Inagaki, K.Sakamoto, M.Nishio, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.047, 102.047, 278.901, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 17

The structure of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate (pdb code 2iy6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate, PDB code: 2iy6:
Jump to Chlorine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1541 b:18.7 occ:1.00 ND1 B:HIS465 2.9 7.3 0.5 ND1 B:HIS465 3.1 8.3 0.5 O B:HOH2505 3.2 31.0 1.0 NZ A:LYS510 3.2 5.5 1.0 O B:HOH2500 3.4 29.9 1.0 CD A:LYS510 3.6 6.5 1.0 CE1 B:HIS465 3.7 8.3 0.5 O B:ARG462 3.7 10.3 1.0 CA B:HIS465 3.8 6.5 1.0 CE A:LYS510 3.9 5.8 1.0 CE1 B:PHE488 3.9 6.0 1.0 CG B:HIS465 3.9 6.6 0.5 CE1 B:HIS465 4.0 8.1 0.5 CG B:HIS465 4.1 7.1 0.5 CB B:HIS465 4.2 6.8 1.0 O B:PHE464 4.3 6.3 1.0 CZ B:PHE488 4.6 5.7 1.0 N B:HIS465 4.6 6.3 1.0 C B:PHE464 4.7 6.7 1.0 CD1 B:PHE488 4.7 4.6 1.0 CG2 A:VAL172 4.7 7.1 1.0 C B:HIS465 4.7 6.3 1.0 C B:ARG462 4.7 9.6 1.0 N B:VAL466 4.8 5.7 1.0 CG1 A:VAL172 4.8 7.1 1.0 O A:HOH2173 4.8 25.6 1.0 CG A:LYS510 4.8 6.0 1.0 NE2 B:HIS465 4.9 5.3 0.5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1-Pyrroline-5-Carboxylate Dehydrogenase From Thermus with Bound Citrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1541 b:16.6 occ:1.00 ND1 A:HIS465 2.8 6.9 0.5 ND1 A:HIS465 3.1 6.9 0.5 NZ B:LYS510 3.2 5.4 1.0 O B:HOH2062 3.3 24.2 1.0 O A:HOH2529 3.4 22.1 1.0 CE1 A:HIS465 3.6 7.8 0.5 CD B:LYS510 3.7 7.0 1.0 O A:ARG462 3.7 9.7 1.0 CE B:LYS510 3.8 5.5 1.0 CA A:HIS465 3.8 5.1 1.0 CG A:HIS465 3.9 6.4 0.5 CE1 A:PHE488 4.0 5.7 1.0 CE1 A:HIS465 4.1 6.8 0.5 CG A:HIS465 4.1 5.3 0.5 CB A:HIS465 4.2 5.6 1.0 O A:PHE464 4.2 4.3 1.0 N A:HIS465 4.6 4.4 1.0 C A:PHE464 4.6 4.4 1.0 CZ A:PHE488 4.7 5.9 1.0 C A:ARG462 4.7 8.5 1.0 C A:HIS465 4.7 4.6 1.0 CD1 A:PHE488 4.7 5.8 1.0 N A:VAL466 4.7 4.7 1.0 CG2 B:VAL172 4.8 6.2 1.0 NE2 A:HIS465 4.8 6.3 0.5 CG1 B:VAL172 4.9 6.2 1.0 O B:HOH2154 4.9 26.9 1.0 CG B:LYS510 4.9 4.0 1.0 CD2 A:HIS465 5.0 7.1 0.5

E.Inagaki, N.Ohshima, H.Takahashi, C.Kuroishi, S.Yokoyama, T.H.Tahirov. Crystal Structure of Thermus Thermophilus Delta(1)- 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