Chlorine in PDB 6d24: Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P

All present enzymatic activity of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P:
1.1.1.49;

The structure of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P, PDB code: 6d24 was solved by H.Botti, C.Ortiz, M.A.Comini, N.Larrieux, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.16 / 3.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.790, 133.030, 107.750, 90.00, 100.27, 90.00
R / Rfree (%)	20.5 / 25.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P (pdb code 6d24). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P, PDB code: 6d24:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:38.4 occ:1.00 ND1 A:HIS511 3.2 26.4 1.0 CA A:PRO508 4.1 27.5 1.0 CE1 A:HIS511 4.2 25.9 1.0 CG A:HIS511 4.2 25.3 1.0 CB A:HIS511 4.3 22.7 1.0 NH1 A:ARG515 4.5 89.8 1.0 CB A:PRO508 4.6 28.8 1.0 N A:PRO508 4.7 26.7 1.0 CG A:PRO508 4.9 32.5 1.0 O A:THR507 5.0 30.4 1.0

Chlorine binding site 2 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:42.9 occ:1.00 N A:THR465 3.4 29.7 1.0 NH2 A:ARG469 3.5 66.3 1.0 OD2 A:ASP463 3.7 54.7 1.0 NE A:ARG469 3.9 56.8 1.0 CB A:THR465 4.0 37.2 1.0 NH1 A:ARG468 4.0 55.5 1.0 CB A:ARG468 4.0 36.5 1.0 OD1 A:ASP463 4.1 44.3 1.0 O A:THR465 4.1 38.9 1.0 CA A:THR465 4.1 30.9 1.0 CZ A:ARG469 4.1 75.2 1.0 CZ A:ARG468 4.2 56.5 1.0 CG A:ASP463 4.2 43.2 1.0 OG1 A:THR465 4.2 33.3 1.0 NE A:ARG468 4.3 35.6 1.0 CD A:ARG468 4.3 36.2 1.0 C A:LEU464 4.4 29.7 1.0 CA A:LEU464 4.5 20.4 1.0 O A:ASP463 4.5 22.2 1.0 C A:THR465 4.6 39.3 1.0 NH2 A:ARG468 4.8 40.3 1.0 CG A:ARG468 4.8 40.2 1.0 C A:ASP463 4.9 21.5 1.0 N A:LEU464 4.9 19.3 1.0 N A:ARG469 4.9 40.1 1.0 CB A:ARG469 4.9 38.0 1.0

Chlorine binding site 3 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:48.9 occ:1.00 NH1 A:ARG421 3.4 51.0 1.0 NH2 A:ARG421 3.8 33.9 1.0 CZ A:ARG421 4.1 55.4 1.0 O B:ARG339 4.9 15.4 1.0

Chlorine binding site 4 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:59.2 occ:1.00 NH1 B:ARG421 3.8 60.7 1.0 NH2 B:ARG421 4.0 59.2 1.0 O A:ARG339 4.2 13.5 1.0 CZ B:ARG421 4.3 69.2 1.0

Chlorine binding site 5 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl609 b:19.0 occ:1.00 ND1 B:HIS511 3.4 30.4 1.0 NH1 B:ARG515 4.0 55.6 1.0 CB B:HIS511 4.2 26.9 1.0 CG B:HIS511 4.2 29.4 1.0 CA B:PRO508 4.3 24.8 1.0 CE1 B:HIS511 4.4 29.4 1.0 NH2 B:ARG515 4.6 48.3 1.0 CB B:PRO508 4.7 25.7 1.0 CZ B:ARG515 4.8 63.9 1.0 O B:PRO508 4.9 31.4 1.0

Chlorine binding site 6 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:46.4 occ:1.00 N B:THR465 3.6 37.7 1.0 OD2 B:ASP463 3.8 60.4 1.0 OD1 B:ASP463 3.8 59.7 1.0 NH1 B:ARG468 4.1 62.0 1.0 NH2 B:ARG469 4.1 52.8 1.0 CG B:ASP463 4.1 55.0 1.0 O B:ASP463 4.2 33.7 1.0 NE B:ARG469 4.2 55.2 1.0 CB B:THR465 4.2 47.8 1.0 CA B:LEU464 4.3 32.4 1.0 CZ B:ARG468 4.3 71.4 1.0 CB B:ARG468 4.4 36.7 1.0 CA B:THR465 4.4 38.1 1.0 OG1 B:THR465 4.4 48.7 1.0 C B:LEU464 4.5 39.3 1.0 O B:THR465 4.5 41.1 1.0 NE B:ARG468 4.6 62.1 1.0 CD B:ARG468 4.6 55.5 1.0 C B:ASP463 4.6 32.8 1.0 CZ B:ARG469 4.6 61.6 1.0 N B:LEU464 4.7 31.2 1.0 CL C:CL611 4.8 37.4 1.0 NH2 B:ARG468 4.9 53.3 1.0 C B:THR465 4.9 41.6 1.0

Chlorine binding site 7 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl611 b:42.1 occ:1.00 NH2 B:ARG468 3.0 53.3 1.0 OD2 B:ASP463 3.9 60.4 1.0 CZ B:ARG468 3.9 71.4 1.0 O B:HOH701 4.0 3.0 1.0 NH1 B:ARG468 4.1 62.0 1.0 CG B:ASP463 4.1 55.0 1.0 OD1 B:ASP463 4.4 59.7 1.0 CB B:ASP463 4.8 29.6 1.0

Chlorine binding site 8 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl612 b:54.8 occ:1.00 CB B:GLN437 3.4 23.0 1.0 NH1 B:ARG408 3.5 50.9 1.0 OE2 B:GLU440 3.6 49.3 1.0 O B:PRO438 3.7 42.8 1.0 CA B:GLN437 4.2 22.6 1.0 OE1 B:GLN437 4.3 51.5 1.0 CZ B:ARG408 4.4 71.8 1.0 CG B:GLN437 4.5 30.9 1.0 NH2 B:ARG408 4.5 57.1 1.0 CD B:GLU440 4.6 68.6 1.0 O B:ALA436 4.6 29.3 1.0 C1 B:GOL608 4.7 31.8 1.0 C B:PRO438 4.7 41.2 1.0 CA B:PRO438 4.7 33.6 1.0 CD B:GLN437 4.8 58.3 1.0

Chlorine binding site 9 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl613 b:57.2 occ:1.00 OG1 B:THR460 3.7 22.2 1.0 NH2 C:ARG469 4.1 47.5 1.0 CD C:ARG469 4.5 39.1 1.0 N B:GLU461 4.6 25.5 1.0 CA B:THR460 4.7 23.8 1.0 CB B:THR460 4.7 25.2 1.0 OE2 B:GLU461 4.7 32.0 1.0 OH C:TYR470 4.8 53.2 1.0 CE1 C:TYR470 4.8 47.3 1.0 CZ C:ARG469 5.0 67.5 1.0

Chlorine binding site 10 out of 23 in the Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Trypanosoma Cruzi Glucose-6-P Dehydrogenase in Complex with G6P within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl610 b:32.8 occ:1.00 NH1 C:ARG515 3.8 51.1 1.0 ND1 C:HIS511 3.9 22.2 1.0 NH2 C:ARG515 4.0 18.1 1.0 CA C:PRO508 4.1 24.7 1.0 CB C:HIS511 4.2 18.8 1.0 CZ C:ARG515 4.3 50.2 1.0 O C:PRO508 4.5 26.0 1.0 CG C:HIS511 4.5 21.5 1.0 CB C:PRO508 4.5 25.4 1.0 C C:PRO508 4.9 25.5 1.0 CE1 C:HIS511 5.0 22.3 1.0

C.Ortiz, H.Botti, A.Buschiazzo, M.A.Comini. Glucose-6-Phosphate Dehydrogenase From the Human Pathogen Trypanosoma Cruzi Evolved Unique Structural Features to Support Efficient Product Formation. J.Mol.Biol. V. 431 2143 2019.
ISSN: ESSN 1089-8638
PubMed: 30930048
DOI: 10.1016/J.JMB.2019.03.023