Calcium in PDB 3zqw: Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus

The structure of Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus, PDB code: 3zqw was solved by O.Yaniv, Y.Halfon, R.Lamed, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.616 / 1.07
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.506, 52.506, 193.978, 90.00, 90.00, 120.00
R / Rfree (%)	12.15 / 13.52

The structure of Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus (pdb code 3zqw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus, PDB code: 3zqw:

Calcium binding site 1 out of 1 in the Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of CBM3B of Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1154 b:5.3 occ:1.00 OD2 A:ASP50 2.3 6.8 1.0 O A:ASN119 2.3 5.9 1.0 OD1 A:ASP123 2.4 5.2 1.0 OG1 A:THR48 2.4 6.1 1.0 OD1 A:ASP122 2.4 6.6 1.0 O A:HOH2142 2.5 5.8 1.0 O A:THR48 2.5 5.2 1.0 H A:THR48 3.2 6.0 1.0 CG A:ASP123 3.3 5.0 1.0 CG A:ASP50 3.4 6.3 1.0 C A:THR48 3.4 5.1 1.0 CG A:ASP122 3.4 6.9 1.0 C A:ASN119 3.5 5.7 1.0 H A:ASN119 3.5 7.3 1.0 HB3 A:ASN119 3.5 8.3 1.0 CB A:THR48 3.6 5.7 1.0 OD2 A:ASP123 3.7 5.3 1.0 OD2 A:ASP122 3.8 7.8 1.0 CA A:THR48 3.8 5.4 1.0 N A:THR48 3.8 5.0 1.0 OD1 A:ASP50 3.9 9.0 1.0 HA A:GLN120 4.1 7.1 1.0 N A:ASN119 4.1 6.1 1.0 HB A:THR48 4.1 6.8 1.0 CA A:ASN119 4.2 6.0 1.0 H A:ASP122 4.2 8.3 1.0 CB A:ASN119 4.2 6.9 1.0 HB2 A:PHE47 4.3 5.7 1.0 O A:HOH2152 4.4 12.1 1.0 HB3 A:TYR118 4.4 7.4 1.0 N A:GLN120 4.5 5.9 1.0 HA A:ASP123 4.5 6.4 1.0 HB2 A:ASP50 4.5 7.3 1.0 N A:ASP123 4.5 6.0 1.0 H A:ASP123 4.5 7.2 1.0 CB A:ASP50 4.6 6.1 1.0 HG21 A:THR48 4.6 7.5 1.0 N A:VAL49 4.6 5.0 1.0 CB A:ASP123 4.6 5.4 1.0 CA A:GLN120 4.6 5.9 1.0 CG2 A:THR48 4.7 6.2 1.0 HD2 A:PHE47 4.7 6.1 1.0 HD21 A:ASN119 4.7 10.8 1.0 C A:ASP122 4.8 6.9 1.0 HA A:THR48 4.8 6.4 1.0 CB A:ASP122 4.8 7.5 1.0 CA A:ASP123 4.8 5.3 1.0 CG A:ASN119 4.8 7.4 1.0 H A:ASP50 4.8 6.5 1.0 C A:GLN120 4.8 6.1 1.0 HD1 A:TYR118 4.8 7.2 1.0 N A:ASP122 4.8 6.9 1.0 N A:ASP50 4.8 5.4 1.0 HG22 A:THR48 4.9 7.5 1.0 ND2 A:ASN119 4.9 9.0 1.0 C A:VAL49 4.9 5.4 1.0 HA A:VAL49 5.0 6.2 1.0

O.Yaniv, Y.Halfon, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow. Structure of CBM3B of the Major Scaffoldin Subunit Scaa From Acetivibrio Cellulolyticus Acta Crystallogr.,Sect.F V. 68 8 2012.
ISSN: ISSN 1744-3091
PubMed: 22232162
DOI: 10.1107/S174430911104807X