Calcium in PDB 4oy7: Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper.

The structure of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper., PDB code: 4oy7 was solved by Z.Forsberg, A.K.Mackenzie, M.Sorlie, A.K.Rohr, R.Helland, A.S.Arvai, G.Vaaje-Kolstad, V.G.H.Eijsink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.90 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.858, 122.856, 156.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.2

The structure of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. also contains other interesting chemical elements:

Copper

(Cu)

8 atoms

The binding sites of Calcium atom in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. (pdb code 4oy7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper., PDB code: 4oy7:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:25.5 occ:1.00 O C:HOH576 2.2 21.6 1.0 OD2 B:ASP60 2.3 17.2 1.0 O C:ASP51 2.4 13.8 1.0 O C:HOH587 2.4 20.4 1.0 O C:HOH521 2.5 18.4 1.0 O C:HOH588 2.7 23.9 1.0 CG B:ASP60 3.4 16.4 1.0 C C:ASP51 3.6 13.6 1.0 OD1 B:ASP60 3.8 16.5 1.0 CA C:ASP51 4.3 13.4 1.0 O C:ASP60 4.4 16.8 1.0 O C:LYS53 4.4 17.6 1.0 OD2 C:ASP51 4.4 16.6 1.0 N C:ALA52 4.6 13.3 1.0 O C:LEU50 4.6 13.0 1.0 CB B:ASP60 4.7 15.5 1.0 CA C:ALA52 4.8 13.8 1.0 O B:HOH1231 4.8 26.7 1.0 C C:ALA52 4.9 14.7 1.0 CG2 C:THR62 4.9 17.9 1.0 CG C:ASP51 4.9 14.7 1.0 OG1 C:THR62 5.0 18.5 1.0

Calcium binding site 2 out of 4 in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca302 b:15.4 occ:1.00 O E:PRO61 2.3 10.4 1.0 OD2 G:ASP60 2.4 13.7 1.0 OD1 E:ASP60 2.4 10.9 1.0 O E:HOH541 2.5 11.8 1.0 O G:HOH555 2.5 28.2 1.0 O E:HOH546 2.5 16.6 1.0 O E:HOH561 2.7 19.7 1.0 CG G:ASP60 3.1 12.8 1.0 OD1 G:ASP60 3.1 12.1 1.0 C E:PRO61 3.5 9.7 1.0 CG E:ASP60 3.5 10.8 1.0 CA G:CA302 3.6 11.4 1.0 O G:HOH593 4.1 33.6 1.0 C E:ASP60 4.1 9.3 1.0 OE1 E:GLN67 4.1 10.4 1.0 O E:ASP60 4.1 9.3 1.0 OD2 E:ASP60 4.1 11.4 1.0 N E:PRO61 4.3 9.2 1.0 N E:THR62 4.3 9.8 1.0 CA E:THR62 4.3 10.1 1.0 O G:HOH609 4.4 27.1 1.0 CA E:PRO61 4.5 9.2 1.0 CB G:ASP60 4.5 12.5 1.0 CA E:ASP60 4.5 9.5 1.0 OG1 E:THR62 4.6 11.5 1.0 CB E:ASP60 4.6 10.2 1.0 O E:HOH659 4.8 16.1 1.0 CD E:PRO61 4.9 9.3 1.0 O E:HOH658 4.9 30.7 1.0 O E:HOH590 4.9 19.5 1.0

Calcium binding site 3 out of 4 in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca302 b:11.4 occ:1.00 O E:HOH581 2.2 19.0 1.0 OE1 G:GLN67 2.3 10.8 1.0 OD1 G:ASP60 2.3 12.1 1.0 O G:PRO61 2.3 11.4 1.0 O E:HOH546 2.4 16.6 1.0 OD2 E:ASP60 2.4 11.4 1.0 OD1 E:ASP60 2.6 10.9 1.0 CG E:ASP60 2.9 10.8 1.0 CD G:GLN67 3.4 10.6 1.0 CG G:ASP60 3.5 12.8 1.0 C G:PRO61 3.5 11.2 1.0 CA E:CA302 3.6 15.4 1.0 OD2 G:ASP60 4.0 13.7 1.0 N G:PRO61 4.1 10.8 1.0 CG G:GLN67 4.2 10.3 1.0 C G:ASP60 4.2 11.4 1.0 CB E:ASP60 4.3 10.2 1.0 NE2 G:GLN67 4.3 10.5 1.0 O G:HOH555 4.3 28.2 1.0 O E:HOH659 4.3 16.1 1.0 N G:THR62 4.4 11.6 1.0 CA G:PRO61 4.4 10.7 1.0 O G:HOH604 4.4 28.1 1.0 CD G:PRO61 4.5 10.3 1.0 CA G:THR62 4.5 12.2 1.0 O G:ASP60 4.5 11.8 1.0 CA G:ASP60 4.6 11.7 1.0 CB G:ASP60 4.6 12.5 1.0 CB G:GLN67 4.6 9.8 1.0 CG G:PRO61 4.7 9.9 1.0 O G:HOH609 4.7 27.1 1.0 O E:HOH541 4.8 11.8 1.0 O G:HOH530 4.9 21.7 1.0

Calcium binding site 4 out of 4 in the Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Cellulose Active Lpmo CELS2 (SCLPMO10C) in Complex with Copper. within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca302 b:32.3 occ:1.00 O H:HOH479 2.4 14.3 1.0 O H:HOH562 2.4 22.5 1.0 O F:HOH671 2.4 26.3 1.0 O H:HOH569 2.5 21.4 1.0 O H:ASP51 2.5 15.2 1.0 O H:HOH522 2.6 17.1 1.0 C H:ASP51 3.6 14.5 1.0 O H:LYS53 3.9 19.5 1.0 O H:ASP60 4.2 17.6 1.0 O H:HOH544 4.2 31.6 1.0 CA H:ASP51 4.3 14.2 1.0 OD2 H:ASP51 4.3 16.2 1.0 O F:HOH668 4.4 26.1 1.0 O H:LEU50 4.4 14.6 1.0 N H:ALA52 4.6 13.9 1.0 N H:LYS53 4.6 16.3 1.0 OG1 H:THR62 4.6 18.7 1.0 C H:ALA52 4.7 15.6 1.0 CA H:ALA52 4.9 14.5 1.0 C H:LYS53 4.9 18.6 1.0

Z.Forsberg, A.K.Mackenzie, M.Srlie, A.K.Rhr, R.Helland, A.S.Arvai, G.Vaaje-Kolstad, V.G.Eijsink. Structural and Functional Characterization of A Conserved Pair of Bacterial Cellulose-Oxidizing Lytic Polysaccharide Monooxygenases. Proc.Natl.Acad.Sci.Usa V. 111 8446 2014.
ISSN: ESSN 1091-6490
PubMed: 24912171
DOI: 10.1073/PNAS.1402771111