Calcium in PDB 2q1f: Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926

All present enzymatic activity of Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926:
4.2.2.21;

The structure of Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926, PDB code: 2q1f was solved by D.Shaya, M.Cygler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.85
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	223.362, 223.362, 112.639, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 26.2

The binding sites of Calcium atom in the Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926 (pdb code 2q1f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926, PDB code: 2q1f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2001 b:54.1 occ:1.00 O A:ASP50 2.3 58.6 1.0 O A:SER24 2.3 58.5 1.0 OE1 A:GLU26 2.4 58.4 1.0 O A:HIS53 2.4 56.9 1.0 OD2 A:ASP161 2.6 59.5 1.0 OD1 A:ASP161 2.7 60.8 1.0 OG A:SER24 2.8 61.6 1.0 CG A:ASP161 3.0 59.5 1.0 OD1 A:ASP50 3.1 64.4 1.0 C A:SER24 3.4 59.0 1.0 C A:ASP50 3.4 59.1 1.0 C A:HIS53 3.5 56.8 1.0 CD A:GLU26 3.5 59.0 1.0 CA A:SER24 3.8 59.2 1.0 CB A:SER24 3.9 59.4 1.0 CG A:ASP50 4.0 62.4 1.0 N A:HIS53 4.1 57.5 1.0 CG A:GLU26 4.2 59.4 1.0 N A:ASP50 4.2 58.7 1.0 CA A:HIS53 4.3 56.8 1.0 CA A:ASP50 4.3 59.7 1.0 N A:GLY51 4.4 58.8 1.0 CB A:ASP161 4.4 58.5 1.0 CA A:GLY51 4.5 58.2 1.0 N A:SER54 4.5 56.4 1.0 OE2 A:GLU26 4.5 57.8 1.0 N A:LYS52 4.6 58.6 1.0 N A:PHE25 4.6 58.5 1.0 CA A:SER54 4.7 56.2 1.0 OD2 A:ASP50 4.8 63.4 1.0 CB A:ASP50 4.8 61.4 1.0 C A:GLY51 4.8 58.3 1.0 CB A:TYR48 4.8 55.6 1.0 CB A:HIS53 4.8 56.2 1.0 C A:PHE25 4.9 58.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Chondroitin Sulfate Lyase Abc From Bacteroides Thetaiotaomicron WAL2926 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2002 b:70.0 occ:1.00 O B:ASP50 2.3 58.6 1.0 O B:SER24 2.4 58.5 1.0 O B:HIS53 2.4 56.9 1.0 OE1 B:GLU26 2.7 60.4 1.0 OG B:SER24 2.9 60.8 1.0 OD1 B:ASP161 3.2 55.3 1.0 OD2 B:ASP161 3.3 55.6 1.0 C B:HIS53 3.4 56.8 1.0 C B:ASP50 3.5 59.1 1.0 C B:SER24 3.5 59.0 1.0 N B:HIS53 3.5 57.5 1.0 OD1 B:ASP50 3.6 64.6 1.0 CG B:ASP161 3.6 56.4 1.0 CA B:HIS53 3.9 56.9 1.0 CD B:GLU26 3.9 61.3 1.0 N B:LYS52 4.0 58.6 1.0 CA B:GLY51 4.0 58.3 1.0 CB B:SER24 4.0 59.8 1.0 CA B:SER24 4.1 59.2 1.0 N B:GLY51 4.2 58.8 1.0 CB B:HIS53 4.3 56.9 1.0 CG B:ASP50 4.3 62.5 1.0 C B:GLY51 4.4 58.3 1.0 N B:SER54 4.5 56.4 1.0 C B:PHE25 4.5 58.3 1.0 N B:PHE25 4.6 58.5 1.0 CA B:ASP50 4.6 59.6 1.0 O B:PHE25 4.6 58.5 1.0 N B:GLU26 4.6 58.8 1.0 C B:LYS52 4.6 58.7 1.0 OE2 B:GLU26 4.7 62.1 1.0 N B:ASP50 4.7 58.7 1.0 CB B:GLU26 4.8 60.4 1.0 OD2 B:ASP50 4.8 62.6 1.0 CA B:GLU26 4.8 59.8 1.0 CB B:TYR48 4.9 56.1 1.0 CA B:SER54 4.9 56.3 1.0 CA B:LYS52 4.9 59.0 1.0 CA B:PHE25 5.0 57.8 1.0 CG B:GLU26 5.0 60.9 1.0

D.Shaya, B.S.Hahn, T.M.Bjerkan, W.S.Kim, N.Y.Park, J.S.Sim, Y.S.Kim, M.Cygler. Composite Active Site of Chondroitin Lyase Abc Accepting Both Epimers of Uronic Acid. Glycobiology V. 18 270 2008.
ISSN: ISSN 0959-6658
PubMed: 18227125
DOI: 10.1093/GLYCOB/CWN002