Calcium in PDB 3t9g: The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii

All present enzymatic activity of The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii:
4.2.2.2;

The structure of The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii, PDB code: 3t9g was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	36.514, 146.685, 162.159, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.8

The structure of The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	4 atoms

The binding sites of Calcium atom in the The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii (pdb code 3t9g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii, PDB code: 3t9g:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:10.7 occ:1.00 O A:GLU104 2.3 9.0 1.0 OD1 A:ASP81 2.3 12.0 1.0 O A:VAL82 2.4 8.9 1.0 O A:HOH361 2.4 14.9 1.0 O A:HOH400 2.4 16.0 1.0 O A:HOH352 2.4 16.2 1.0 O A:HOH316 2.6 9.3 1.0 CG A:ASP81 3.5 13.5 1.0 C A:GLU104 3.5 7.7 1.0 C A:VAL82 3.6 7.7 1.0 OD2 A:ASP81 4.0 16.2 1.0 N A:VAL82 4.0 7.6 1.0 CB A:GLU104 4.1 11.1 1.0 O A:HOH346 4.2 11.8 1.0 C A:ASP81 4.3 8.4 1.0 CA A:VAL82 4.4 7.8 1.0 N A:ALA106 4.4 9.6 1.0 CA A:GLU104 4.4 8.6 1.0 N A:ALA105 4.4 9.0 1.0 CA A:ALA105 4.5 8.5 1.0 O A:HOH459 4.5 33.7 1.0 O A:GLY35 4.5 13.0 1.0 O A:HOH302 4.5 13.9 1.0 O A:ASP81 4.6 9.0 1.0 N A:GLY83 4.6 8.3 1.0 O A:GLY83 4.6 9.0 1.0 O A:HOH460 4.6 22.0 1.0 CB A:ASP81 4.7 11.1 1.0 CA A:ASP81 4.7 8.9 1.0 CA A:GLY83 4.7 9.4 1.0 O A:HOH509 4.8 40.0 1.0 CB A:VAL82 4.9 6.2 1.0 C A:ALA105 4.9 11.2 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Family 3 Pectate Lyase From Caldicellulosiruptor Bescii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:7.9 occ:1.00 O B:GLU104 2.3 7.7 1.0 OD1 B:ASP81 2.3 10.3 1.0 O B:HOH360 2.4 9.4 1.0 O B:VAL82 2.4 7.6 1.0 O B:HOH303 2.4 12.7 1.0 O B:HOH353 2.4 10.6 1.0 O B:HOH331 2.5 8.2 1.0 CG B:ASP81 3.5 12.9 1.0 C B:GLU104 3.5 6.8 1.0 C B:VAL82 3.6 6.5 1.0 OD2 B:ASP81 4.0 12.0 1.0 CB B:GLU104 4.1 9.1 1.0 N B:VAL82 4.1 6.2 1.0 O B:HOH328 4.2 10.4 1.0 C B:ASP81 4.2 7.2 1.0 O B:HOH393 4.3 26.7 1.0 O B:HOH473 4.3 31.5 1.0 CA B:VAL82 4.3 5.7 1.0 CA B:GLU104 4.4 6.8 1.0 N B:ALA106 4.4 8.5 1.0 O B:HOH330 4.4 9.3 1.0 N B:ALA105 4.5 5.7 1.0 O B:GLY35 4.5 9.1 1.0 CA B:ALA105 4.5 6.6 1.0 O B:HOH338 4.5 21.9 1.0 N B:GLY83 4.6 6.7 1.0 O B:GLY83 4.6 6.4 1.0 O B:ASP81 4.6 8.5 1.0 CB B:ASP81 4.7 8.0 1.0 O B:HOH394 4.7 25.3 1.0 CA B:GLY83 4.7 7.0 1.0 CA B:ASP81 4.7 8.9 1.0 CB B:VAL82 4.8 5.9 1.0 C B:ALA105 4.9 7.7 1.0 O B:LYS103 4.9 6.0 0.7 O B:LYS103 5.0 7.4 0.3

M.Alahuhta, P.Chandrayan, I.Kataeva, M.W.Adams, M.E.Himmel, V.V.Lunin. A 1.5 A Resolution X-Ray Structure of the Catalytic Module of Caldicellulosiruptor Bescii Family 3 Pectate Lyase. Acta Crystallogr.,Sect.F V. 67 1498 2011.
ISSN: ESSN 1744-3091
PubMed: 22139151
DOI: 10.1107/S1744309111038449