Calcium in PDB 2xhn: Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant

All present enzymatic activity of Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant:
4.2.2.10;

The structure of Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant, PDB code: 2xhn was solved by M.H.Jensen, H.Otten, U.Christensen, T.V.Borchert, L.L.H.Christensen, S.Larsen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.01 / 1.52
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	108.934, 108.978, 170.650, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 16.4

The binding sites of Calcium atom in the Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant (pdb code 2xhn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant, PDB code: 2xhn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca800 b:10.3 occ:0.69 O A:GLN351 2.3 5.9 1.0 OD1 A:ASP349 2.3 7.8 1.0 O A:ASP502 2.4 5.9 1.0 O A:GLU347 2.4 6.7 1.0 O A:HOH2761 2.4 19.1 1.0 OD1 A:ASP502 2.4 6.7 1.0 H A:GLN351 3.1 8.0 1.0 HA A:ASP502 3.1 7.0 1.0 H A:ASP349 3.1 10.3 1.0 H A:GLU347 3.1 10.2 1.0 C A:ASP502 3.2 5.5 1.0 CG A:ASP349 3.3 9.8 1.0 C A:GLN351 3.5 6.0 1.0 C A:GLU347 3.5 7.5 1.0 HE2 A:PHE355 3.6 17.0 0.5 CG A:ASP502 3.6 7.0 1.0 CA A:ASP502 3.6 5.9 1.0 HB2 A:CYS503 3.7 10.0 1.0 OD2 A:ASP349 3.8 17.4 1.0 N A:GLN351 3.9 6.7 1.0 N A:GLU347 3.9 8.5 1.0 N A:ASP349 3.9 8.6 1.0 H A:THR353 4.0 13.7 0.4 H A:THR353 4.0 13.7 0.6 HA A:PRO352 4.1 11.4 1.0 HB2 A:GLU347 4.2 14.4 1.0 CB A:ASP502 4.2 7.9 1.0 H A:GLY350 4.2 7.6 1.0 HB2 A:GLN351 4.2 8.2 1.0 CA A:GLN351 4.2 7.6 1.0 CA A:GLU347 4.3 8.6 1.0 HE2 A:PHE355 4.3 13.2 0.5 N A:CYS503 4.3 7.2 1.0 HA A:TRP348 4.3 9.4 1.0 CE2 A:PHE355 4.4 14.2 0.5 OG1 A:THR353 4.4 18.6 0.4 N A:GLY350 4.5 6.3 1.0 CB A:ASP349 4.5 8.2 1.0 N A:THR353 4.5 11.4 1.0 HA3 A:GLY346 4.5 11.2 1.0 N A:PRO352 4.5 8.5 1.0 CA A:ASP349 4.5 7.6 1.0 HB A:THR353 4.6 16.3 0.6 CB A:CYS503 4.6 8.3 1.0 N A:TRP348 4.6 7.8 1.0 CA A:PRO352 4.6 9.5 1.0 OD2 A:ASP502 4.6 8.3 1.0 HA A:CYS503 4.6 9.9 1.0 HZ A:PHE355 4.7 13.5 0.5 C A:ASP349 4.7 7.3 1.0 CE2 A:PHE355 4.7 11.0 0.5 CB A:GLU347 4.8 12.0 1.0 O A:THR353 4.8 16.2 1.0 CA A:CYS503 4.8 8.2 1.0 HB2 A:ASP502 4.8 9.5 1.0 CB A:GLN351 4.8 6.9 1.0 HG1 A:THR353 4.8 22.3 0.4 CA A:TRP348 4.8 7.8 1.0 HB3 A:ASP502 4.8 9.5 1.0 HB3 A:ASP349 4.8 9.9 1.0 C A:PRO352 4.9 9.8 1.0 C A:TRP348 4.9 9.4 1.0 N A:ASP502 4.9 6.4 1.0 CZ A:PHE355 4.9 11.3 0.5 C A:GLY346 4.9 7.5 1.0 C A:GLY350 5.0 8.1 1.0 HZ A:PHE355 5.0 12.0 0.5

Calcium binding site 2 out of 2 in the Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Rhamnogalacturonan Lyase From Aspergillus Aculeatus K150A Active Site Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca801 b:10.9 occ:0.71 O B:GLN351 2.3 6.6 1.0 O B:ASP502 2.3 6.2 1.0 O B:HOH2725 2.3 20.2 1.0 OD1 B:ASP349 2.4 8.3 1.0 O B:GLU347 2.4 7.1 1.0 OD1 B:ASP502 2.5 6.8 1.0 HA B:ASP502 3.1 7.9 1.0 H B:GLN351 3.1 7.5 1.0 H B:GLU347 3.1 10.9 1.0 H B:ASP349 3.2 10.5 1.0 C B:ASP502 3.2 7.8 1.0 CG B:ASP349 3.3 11.3 1.0 C B:GLN351 3.5 6.2 1.0 C B:GLU347 3.6 7.8 1.0 CA B:ASP502 3.6 6.6 1.0 CG B:ASP502 3.6 7.2 1.0 HE2 B:PHE355 3.6 17.3 0.5 HB2 B:CYS503 3.7 9.6 1.0 OD2 B:ASP349 3.8 16.8 1.0 N B:GLU347 3.9 9.1 1.0 H B:THR353 3.9 15.4 0.7 N B:GLN351 3.9 6.3 1.0 N B:ASP349 3.9 8.8 1.0 H B:THR353 4.0 14.5 0.3 HA B:PRO352 4.1 9.9 1.0 HE1 B:PHE355 4.1 14.6 0.5 HB2 B:GLU347 4.1 15.8 1.0 CB B:ASP502 4.2 8.4 1.0 HB2 B:GLN351 4.2 9.4 1.0 CA B:GLU347 4.2 10.3 1.0 H B:GLY350 4.2 8.8 1.0 CA B:GLN351 4.3 7.2 1.0 N B:CYS503 4.3 6.2 1.0 HA B:TRP348 4.4 10.1 1.0 CE2 B:PHE355 4.4 14.4 0.5 N B:THR353 4.4 12.8 0.7 OG1 B:THR353 4.5 17.0 0.3 CB B:ASP349 4.5 10.1 1.0 HA3 B:GLY346 4.5 10.9 1.0 N B:GLY350 4.5 7.3 1.0 N B:PRO352 4.5 8.2 1.0 N B:THR353 4.5 12.1 0.3 HB B:THR353 4.6 22.7 0.7 CA B:ASP349 4.6 8.7 1.0 CB B:CYS503 4.6 8.0 1.0 CE1 B:PHE355 4.6 12.2 0.5 CA B:PRO352 4.6 8.2 1.0 N B:TRP348 4.6 8.6 1.0 OD2 B:ASP502 4.6 8.6 1.0 HA B:CYS503 4.6 8.5 1.0 HZ B:PHE355 4.7 16.9 0.5 C B:ASP349 4.7 9.1 1.0 O B:THR353 4.7 14.9 0.3 CB B:GLU347 4.7 13.2 1.0 CA B:CYS503 4.8 7.0 1.0 HB2 B:ASP502 4.8 10.1 1.0 O B:THR353 4.8 18.4 0.7 CB B:GLN351 4.8 7.8 1.0 C B:PRO352 4.8 10.6 1.0 HB3 B:ASP502 4.8 10.1 1.0 CA B:TRP348 4.8 8.4 1.0 HG1 B:THR353 4.8 20.4 0.3 HB3 B:ASP349 4.9 12.1 1.0 C B:TRP348 4.9 8.5 1.0 N B:ASP502 4.9 6.2 1.0 C B:GLY346 4.9 6.7 1.0 CZ B:PHE355 4.9 14.1 0.5 C B:GLY350 5.0 10.3 1.0

M.H.Jensen, H.Otten, U.Christensen, T.V.Borchert, L.L.H.Christensen, S.Larsen, L.L.Leggio. Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase From Aspergillus Aculeatus. J.Mol.Biol. V. 404 100 2010.
ISSN: ISSN 0022-2836
PubMed: 20851126
DOI: 10.1016/J.JMB.2010.09.013