Chlorine in PDB 2ism: Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8

The structure of Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8, PDB code: 2ism was solved by J.Jeyakanthan, S.P.Kanaujia, C.Vasuki Ranjani, K.Sekar, A.Ebihara, A.Shinkai, N.Nakagawa, N.Shimizu, M.Yamamoto, S.Kuramitsu, Y.Shiro, S.Yokoyama, Riken Structural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.61 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.898, 132.964, 60.780, 90.00, 97.18, 90.00
R / Rfree (%)	18.1 / 20.8

The structure of Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8 (pdb code 2ism). 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 Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8, PDB code: 2ism:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:24.6 occ:1.00 O A:HOH1009 3.1 10.2 1.0 O A:HOH1078 3.1 33.5 1.0 NE2 A:GLN205 3.2 20.0 1.0 NH1 A:ARG318 3.3 13.7 1.0 OE1 A:GLN205 3.5 23.3 1.0 NH2 A:ARG318 3.5 11.6 1.0 CD A:GLN205 3.8 22.8 1.0 CB A:GLU74 3.8 12.5 1.0 CZ A:ARG318 3.8 16.2 1.0 CG A:GLU74 4.0 13.8 1.0 CD A:GLU74 4.0 19.4 1.0 O A:HOH1005 4.3 14.7 1.0 O A:HOH1014 4.3 18.9 1.0 OE1 A:GLU74 4.3 15.8 1.0 OE2 A:GLU74 4.3 17.9 1.0 O A:HOH1102 4.6 44.8 1.0 O A:HOH1038 4.7 44.2 1.0 O A:HOH1051 4.7 23.9 1.0 CA A:GLU74 4.8 10.3 1.0 CD1 A:LEU285 4.8 17.3 1.0 NE1 A:TRP34 4.9 10.1 1.0 NH1 A:ARG49 4.9 9.0 1.0 O A:GLU74 4.9 10.9 1.0 ND2 A:ASN203 4.9 16.5 1.0 NH1 A:ARG338 5.0 37.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1004 b:24.0 occ:1.00 O B:HOH1108 3.1 28.9 1.0 O B:HOH1007 3.1 12.4 1.0 NE2 B:GLN205 3.3 20.6 1.0 NH1 B:ARG318 3.3 11.9 1.0 NH2 B:ARG318 3.5 13.0 1.0 CB B:GLU74 3.7 15.0 1.0 OE1 B:GLN205 3.7 21.1 1.0 CZ B:ARG318 3.8 12.6 1.0 CD B:GLN205 4.0 18.4 1.0 CG B:GLU74 4.0 18.0 1.0 CD B:GLU74 4.1 19.8 1.0 O B:HOH1011 4.3 15.3 1.0 O B:HOH1029 4.3 19.4 1.0 OE2 B:GLU74 4.3 23.7 1.0 O B:HOH1179 4.4 38.8 1.0 OE1 B:GLU74 4.4 18.3 1.0 O B:HOH1208 4.6 25.1 1.0 CA B:GLU74 4.6 13.4 1.0 O B:GLU74 4.7 12.8 1.0 NH1 B:ARG49 4.7 11.3 1.0 NE2 B:HIS221 4.8 37.5 1.0 CD1 B:LEU285 4.8 14.7 1.0 CE1 B:HIS221 4.9 33.6 1.0 NE1 B:TRP34 4.9 9.9 1.0 ND2 B:ASN203 4.9 12.0 1.0

J.Jeyakanthan, S.P.Kanaujia, C.Vasuki Ranjani, K.Sekar, A.Ebihara, A.Shinkai, N.Nakagawa, N.Shimizu, M.Yamamoto, S.Kuramitsu, Y.Shiro, S.Yokoyama. Crystal Structure of the Putative Oxidoreductase (Glucose Dehydrogenase) (TTHA0570) From Thermus Theromophilus HB8 To Be Published.