Calcium in PDB 6s21: Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf)

The structure of Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf), PDB code: 6s21 was solved by D.Ndeh, A.Basle, H.Strahl, B.Henrissat, N.Terrapon, A.Cartmell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.98 / 2.80
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.905, 93.911, 304.086, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 26.1

The binding sites of Calcium atom in the Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf) (pdb code 6s21). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf), PDB code: 6s21:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:47.8 occ:1.00 NE2 A:HIS320 2.1 19.6 1.0 OD1 A:ASP33 2.2 29.7 1.0 OSC A:ASG602 2.6 50.6 1.0 OD2 A:ASP319 2.6 33.5 1.0 OD2 A:ASP33 2.7 37.7 1.0 CG A:ASP33 2.7 30.3 1.0 CD2 A:HIS320 2.9 21.8 1.0 CE1 A:HIS320 3.2 20.6 1.0 CG A:ASP319 3.3 31.4 1.0 OSA A:ASG602 3.3 43.3 1.0 CB A:SER84 3.3 37.3 1.0 OD1 A:ASP319 3.5 30.7 1.0 CA A:SER84 3.6 32.6 1.0 S A:ASG602 3.8 51.9 1.0 N A:SER84 3.8 27.9 1.0 OSB A:ASG602 3.9 50.5 1.0 OG A:SER84 3.9 36.1 1.0 CG A:HIS320 4.1 23.0 1.0 ND1 A:HIS320 4.2 22.6 1.0 CB A:ASP33 4.2 26.8 1.0 CD2 A:HIS241 4.2 36.3 1.0 CE A:LYS333 4.5 50.4 1.0 OE1 A:GLN34 4.5 37.3 1.0 N A:GLN34 4.5 25.6 1.0 CB A:ASP319 4.5 29.7 1.0 CA A:ASP33 4.7 26.4 1.0 C A:LEU83 4.7 30.6 1.0 NZ A:LYS138 4.7 41.1 1.0 CB A:GLN34 4.8 28.3 1.0 O4 A:ASG602 4.8 54.1 1.0 NE2 A:HIS241 4.9 39.3 1.0 CE A:LYS138 4.9 37.0 1.0 C A:ASP33 5.0 27.9 1.0

Calcium binding site 2 out of 3 in the Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:63.8 occ:1.00 OD1 B:ASP33 2.2 58.0 1.0 NE2 B:HIS320 2.3 40.2 1.0 OSB B:ASG602 2.3 71.8 1.0 OD2 B:ASP319 2.7 41.1 1.0 OD2 B:ASP33 2.7 54.8 1.0 CG B:ASP33 2.7 49.0 1.0 CD2 B:HIS320 3.2 35.4 1.0 CB B:SER84 3.2 29.9 1.0 CE1 B:HIS320 3.4 36.9 1.0 CG B:ASP319 3.4 35.5 1.0 S B:ASG602 3.5 65.8 1.0 CA B:SER84 3.6 28.9 1.0 OSA B:ASG602 3.7 66.7 1.0 OD1 B:ASP319 3.7 33.2 1.0 N B:SER84 3.8 31.6 1.0 OSC B:ASG602 3.8 55.3 1.0 OG B:SER84 3.9 26.9 1.0 CD2 B:HIS241 4.1 35.6 1.0 CB B:ASP33 4.2 45.8 1.0 CG B:HIS320 4.3 35.1 1.0 CE B:LYS333 4.3 37.5 1.0 OE1 B:GLN34 4.4 51.1 1.0 ND1 B:HIS320 4.4 35.6 1.0 NZ B:LYS138 4.6 45.3 1.0 N B:GLN34 4.6 31.3 1.0 CB B:ASP319 4.7 36.9 1.0 C B:LEU83 4.7 31.3 1.0 CE B:LYS138 4.8 37.0 1.0 NZ B:LYS333 4.8 42.1 1.0 O4 B:ASG602 4.8 55.2 1.0 NE2 B:HIS241 4.8 33.5 1.0 CA B:ASP33 4.8 41.1 1.0 CB B:GLN34 4.9 39.3 1.0

Calcium binding site 3 out of 3 in the Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Metabolism of Multiple Glycosaminoglycans By Bacteroides Thetaiotaomicron Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca601 b:52.9 occ:1.00 OD1 C:ASP33 2.2 37.5 1.0 NE2 C:HIS320 2.3 23.9 1.0 OSB C:ASG602 2.3 56.9 1.0 OD2 C:ASP319 2.6 34.0 1.0 OD2 C:ASP33 2.6 41.1 1.0 CG C:ASP33 2.7 32.2 1.0 CD2 C:HIS320 3.1 25.8 1.0 CB C:SER84 3.3 32.2 1.0 CE1 C:HIS320 3.3 27.8 1.0 CG C:ASP319 3.4 28.7 1.0 CA C:SER84 3.6 28.9 1.0 S C:ASG602 3.6 72.1 1.0 OD1 C:ASP319 3.6 29.9 1.0 N C:SER84 3.8 26.2 1.0 OG C:SER84 3.8 32.1 1.0 OSA C:ASG602 3.9 56.8 1.0 OSC C:ASG602 3.9 72.9 1.0 CB C:ASP33 4.2 28.4 1.0 CD2 C:HIS241 4.2 38.2 1.0 CG C:HIS320 4.3 26.5 1.0 ND1 C:HIS320 4.4 26.2 1.0 CE C:LYS333 4.4 36.1 1.0 OE1 C:GLN34 4.5 30.3 1.0 NZ C:LYS138 4.6 36.1 1.0 N C:GLN34 4.6 25.6 1.0 CB C:ASP319 4.6 28.9 1.0 CA C:ASP33 4.7 27.0 1.0 CE C:LYS138 4.8 32.9 1.0 NZ C:LYS333 4.8 37.8 1.0 C C:LEU83 4.8 25.8 1.0 NE2 C:HIS241 4.8 47.3 1.0 O4 C:ASG602 4.9 70.6 1.0 CB C:GLN34 4.9 26.4 1.0

A.Catmell, A.Basle. The Metabolism of Multiple Glycosaminoglycans By the Human Gut Microbiota Is Orchestrated By A Versatile Core Genetic Locus (BT33494S-Sulf) To Be Published.