Chlorine in PDB 7r3t: Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H

The structure of Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H, PDB code: 7r3t was solved by S.Najmudin, I.Venditto, C.M.G.A.Fontes, P.Bule, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 2.11
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.63, 76.38, 106.87, 90, 90, 90
R / Rfree (%)	22.1 / 29.6

The binding sites of Chlorine atom in the Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H (pdb code 7r3t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H, PDB code: 7r3t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H


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 Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:24.7 occ:1.00 H B:SER69 2.5 23.0 1.0 HA2 B:GLY67 2.8 22.9 1.0 OG B:SER69 3.1 26.0 1.0 HB2 B:SER69 3.2 23.3 1.0 HG B:SER69 3.2 30.0 0.0 N B:SER69 3.4 23.0 1.0 CA B:GLY67 3.4 22.8 1.0 C B:GLY67 3.5 21.8 1.0 H B:SER68 3.5 21.9 1.0 CB B:SER69 3.6 22.6 1.0 N B:SER68 3.6 21.1 1.0 HA3 B:GLY67 3.6 22.7 1.0 HG13 B:ILE70 3.9 19.0 0.5 O B:GLY67 4.0 22.5 1.0 H B:ILE70 4.0 20.8 1.0 CA B:SER69 4.1 22.4 1.0 HG12 B:ILE70 4.2 21.2 0.5 C B:SER68 4.4 22.4 1.0 HB3 B:SER69 4.5 22.8 1.0 CA B:SER68 4.5 21.7 1.0 OG B:SER68 4.6 23.2 1.0 N B:ILE70 4.7 20.6 1.0 O B:SER66 4.7 25.8 1.0 N B:GLY67 4.7 23.6 1.0 HA B:SER69 4.8 22.3 1.0 CG1 B:ILE70 4.8 19.1 0.5 HD11 B:ILE70 4.8 20.0 0.5 C B:SER69 4.9 21.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H


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 Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:29.9 occ:1.00 HB2 B:SER66 2.3 27.5 1.0 HE2 A:HIS169 2.6 30.0 0.0 HB3 B:SER66 2.8 28.2 1.0 HG2 A:PRO167 2.9 26.5 1.0 CB B:SER66 3.0 27.6 1.0 HA B:THR87 3.0 23.0 1.0 OG1 B:THR87 3.1 21.8 1.0 HE1 A:HIS169 3.1 21.8 1.0 HA3 B:GLY67 3.2 22.7 1.0 NE2 A:HIS169 3.2 20.6 1.0 N B:GLY67 3.5 23.6 1.0 CE1 A:HIS169 3.5 21.5 1.0 HG1 B:THR87 3.5 30.0 0.0 H B:THR88 3.6 23.1 1.0 C B:SER66 3.6 24.6 1.0 HD2 A:PRO167 3.7 25.6 1.0 H B:GLY67 3.7 23.7 1.0 HG B:SER66 3.7 30.0 0.0 CA B:GLY67 3.7 22.8 1.0 CG A:PRO167 3.8 26.5 1.0 HB2 A:PRO167 3.8 25.3 1.0 CA B:THR87 3.8 22.7 1.0 CB B:THR87 3.9 21.3 1.0 OG B:SER66 3.9 30.8 1.0 O B:SER66 3.9 25.8 1.0 HA2 B:GLY67 4.0 22.9 1.0 HB B:THR87 4.0 21.1 1.0 CA B:SER66 4.0 26.3 1.0 CD A:PRO167 4.2 26.1 1.0 N B:THR88 4.2 23.5 1.0 O A:HOH422 4.3 27.9 1.0 O B:THR86 4.3 24.1 1.0 CB A:PRO167 4.3 25.9 1.0 HD11 B:ILE70 4.4 20.0 0.5 O B:HOH417 4.4 33.9 1.0 HG3 A:PRO167 4.5 27.1 1.0 CD2 A:HIS169 4.5 20.6 1.0 C B:THR87 4.6 23.3 1.0 HD3 A:PRO167 4.6 26.6 1.0 HA B:SER66 4.7 26.7 1.0 H B:SER66 4.8 26.0 1.0 OG1 B:THR88 4.8 25.0 1.0 ND1 A:HIS169 4.8 20.5 1.0 O A:PRO167 4.9 25.9 1.0 N B:SER66 4.9 25.9 1.0 HB3 A:PRO167 4.9 26.1 1.0 N B:THR87 5.0 23.9 1.0 HB B:THR88 5.0 24.7 1.0 HD2 A:HIS169 5.0 20.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Dimeric C-Terminal BIG_2-CBM56 Domains From Paenibacillus Illinoisensis (Bacillus Circulans IAM1165) Beta-1,3- Glucanase H within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:27.9 occ:1.00 HG B:SER68 2.2 30.0 0.0 OG B:SER68 2.9 23.2 1.0 HB3 B:SER68 4.0 23.1 1.0 CB B:SER68 4.0 22.5 1.0 HB2 B:SER68 4.3 22.6 1.0 H B:SER68 4.7 21.9 1.0

S.Najmudin, I.Venditto, V.R.Pires, C.Caseiro, M.A.S.Correia, M.J.Romao, A.L.Carvalho, C.M.G.A.Fontes, P.Bule. Structural and Biochemical Characterization of C-Terminal BIG_2-CBM56 Domains of Paenibacillus Illinoisensis IAM1165 Beta-1,3-Glucanase H and Paenibacillus Sp CBM56 To Be Published.