Calcium in PDB 4jo5: CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum

The structure of CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum, PDB code: 4jo5 was solved by L.J.W.Shimon, F.Frolow, E.A.Bayer, O.Yaniv, R.Lamed, E.Morag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.13 / 1.98
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	109.005, 109.005, 109.005, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.5

The structure of CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium atom in the CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum (pdb code 4jo5). 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 CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum, PDB code: 4jo5:

Calcium binding site 1 out of 1 in the CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CBM3A-L Domain with Flanking Linkers From Scaffoldin Cipa of Cellulosome of Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:27.8 occ:1.00 OD1 A:ASP143 2.3 25.6 1.0 OD2 A:ASP63 2.4 30.9 1.0 OG1 A:THR61 2.4 27.5 1.0 O A:THR61 2.4 29.2 1.0 O A:THR139 2.4 25.1 1.0 OD1 A:ASN142 2.4 30.6 1.0 O A:HOH310 2.5 23.7 0.9 OD1 A:ASP63 2.7 33.5 1.0 CG A:ASP63 2.9 37.5 1.0 H A:THR61 3.2 32.1 1.0 CG A:ASP143 3.3 26.2 1.0 H A:THR139 3.4 38.2 1.0 C A:THR61 3.4 29.6 1.0 CG A:ASN142 3.5 37.1 1.0 CB A:THR61 3.5 36.5 1.0 OD2 A:ASP143 3.6 24.6 1.0 C A:THR139 3.6 35.3 1.0 HD21 A:ASN142 3.6 47.7 1.0 HB A:THR139 3.7 42.4 1.0 CA A:THR61 3.8 36.8 1.0 N A:THR61 3.8 26.8 1.0 HB A:THR61 3.9 43.7 1.0 ND2 A:ASN142 3.9 39.8 1.0 N A:THR139 4.1 31.8 1.0 O A:ASN142 4.2 32.2 1.0 HA A:GLN140 4.2 27.4 1.0 H A:ASN142 4.2 42.0 1.0 HB3 A:TYR138 4.3 34.8 1.0 CA A:THR139 4.3 35.7 1.0 HB2 A:TYR60 4.3 28.8 1.0 HD2 A:TYR60 4.3 29.7 1.0 CB A:ASP63 4.3 30.6 1.0 C A:ASN142 4.4 33.2 1.0 CB A:THR139 4.4 35.3 1.0 HD1 A:TYR138 4.5 27.3 1.0 N A:VAL62 4.6 33.1 1.0 HB2 A:ASP63 4.6 36.7 1.0 CB A:ASP143 4.7 25.6 1.0 N A:GLN140 4.7 23.5 1.0 CB A:ASN142 4.7 39.7 1.0 HA A:ASP143 4.7 32.3 1.0 HG22 A:THR139 4.7 46.1 1.0 N A:ASP143 4.7 28.6 1.0 HA A:THR61 4.7 44.1 1.0 N A:ASP63 4.8 35.4 1.0 HD22 A:ASN142 4.8 47.7 1.0 CG2 A:THR61 4.8 36.2 1.0 H A:ASP63 4.8 42.5 1.0 CA A:GLN140 4.8 22.8 1.0 HG23 A:THR61 4.8 43.4 1.0 C A:VAL62 4.9 30.9 1.0 HB3 A:ASP63 4.9 36.7 1.0 N A:ASN142 4.9 35.0 1.0 CA A:ASN142 4.9 32.2 1.0 O A:HOH421 4.9 49.8 1.0 HA A:VAL62 4.9 29.2 1.0 CA A:ASP143 4.9 26.9 1.0 HG21 A:THR61 5.0 43.4 1.0 HB2 A:ASN142 5.0 47.6 1.0 HA A:TYR138 5.0 35.8 1.0

O.Yaniv, E.Morag, I.Borovok, E.A.Bayer, R.Lamed, F.Frolow, L.J.Shimon. Structure of A Family 3A Carbohydrate-Binding Module From the Cellulosomal Scaffoldin Cipa of Clostridium Thermocellum with Flanking Linkers: Implications For Cellulosome Structure. Acta Crystallogr.,Sect.F V. 69 733 2013.
ISSN: ESSN 1744-3091
PubMed: 23832198
DOI: 10.1107/S174430911301614X