Calcium in PDB 1jf5: Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A

All present enzymatic activity of Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A:
3.2.1.135;

The structure of Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A, PDB code: 1jf5 was solved by A.Ohtaki, S.Kondo, Y.Shimura, T.Tonozuka, Y.Sakano, S.Kamitori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.39 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	112.600, 118.050, 113.130, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.3

The binding sites of Calcium atom in the Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A (pdb code 1jf5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A, PDB code: 1jf5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:21.2 occ:1.00 OD1 A:ASN148 2.2 33.3 1.0 OD2 A:ASP171 2.2 29.2 1.0 OD1 A:ASN143 2.3 21.9 1.0 OD2 A:ASP149 2.4 35.6 1.0 O A:ASP145 2.4 25.1 1.0 O A:GLY169 2.5 30.9 1.0 CG A:ASN148 3.2 32.5 1.0 CG A:ASP171 3.3 29.2 1.0 CG A:ASN143 3.3 23.7 1.0 C A:ASP145 3.4 24.8 1.0 C A:GLY169 3.5 30.9 1.0 CG A:ASP149 3.6 33.2 1.0 CB A:ASP171 3.7 26.2 1.0 ND2 A:ASN143 3.7 22.9 1.0 ND2 A:ASN148 3.8 33.5 1.0 N A:ASP149 3.8 34.1 1.0 CA A:GLY169 3.9 32.4 1.0 O A:GLN215 4.0 30.4 1.0 CA A:ASP149 4.1 35.9 1.0 C A:ASN148 4.1 34.1 1.0 CA A:ASP145 4.2 27.1 1.0 N A:ASP145 4.3 27.6 1.0 N A:PRO146 4.3 23.4 1.0 OD1 A:ASP171 4.4 31.9 1.0 OD1 A:ASP149 4.4 30.2 1.0 CB A:ASP149 4.4 34.2 1.0 CB A:ASP145 4.5 28.2 1.0 CB A:ASN148 4.5 32.6 1.0 CB A:ASN143 4.5 24.3 1.0 N A:ASN148 4.6 32.8 1.0 CA A:PRO146 4.6 23.1 1.0 O A:ASN148 4.6 35.6 1.0 C A:GLY170 4.6 27.4 1.0 CA A:ASN148 4.6 33.2 1.0 O A:GLY170 4.6 28.0 1.0 N A:GLY170 4.7 29.9 1.0 N A:ASP171 4.7 26.0 1.0 CA A:ASN143 4.8 25.1 1.0 CA A:ASP171 4.9 23.7 1.0 C A:PRO146 4.9 25.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Thermoactinomyces Vulgaris R-47 Alpha- Amylase 2 Mutant F286A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:49.3 occ:1.00 OD1 B:ASN148 2.1 41.0 1.0 O B:GLY169 2.4 40.4 1.0 OD2 B:ASP149 2.5 48.4 1.0 OD1 B:ASP171 2.6 32.6 1.0 OD1 B:ASN143 2.6 35.7 1.0 O B:ASP145 2.6 36.8 1.0 CG B:ASP171 3.0 34.0 1.0 CG B:ASN143 3.0 37.6 1.0 ND2 B:ASN143 3.1 37.0 1.0 CG B:ASN148 3.1 41.7 1.0 C B:GLY169 3.5 40.5 1.0 CG B:ASP149 3.5 46.2 1.0 CB B:ASP171 3.6 35.5 1.0 ND2 B:ASN148 3.6 42.4 1.0 C B:ASP145 3.6 38.5 1.0 OD2 B:ASP171 3.7 33.7 1.0 OD1 B:ASP149 4.0 47.3 1.0 CA B:GLY169 4.0 40.0 1.0 N B:ASP149 4.2 43.0 1.0 CB B:ASN143 4.3 38.1 1.0 C B:ASN148 4.3 41.9 1.0 C B:GLY170 4.3 37.5 1.0 N B:ASP145 4.4 40.1 1.0 N B:ASP171 4.4 36.8 1.0 N B:PRO146 4.4 38.3 1.0 O B:GLN215 4.4 34.6 1.0 CB B:ASN148 4.4 41.3 1.0 CA B:ASP149 4.5 44.4 1.0 O B:GLY170 4.5 37.8 1.0 CA B:ASP145 4.5 39.4 1.0 CA B:PRO146 4.5 37.8 1.0 CB B:ASP149 4.5 45.6 1.0 CA B:ASN143 4.5 39.7 1.0 N B:GLY170 4.6 39.5 1.0 CA B:ASP171 4.6 35.6 1.0 O B:ASN148 4.7 42.1 1.0 N B:ASN148 4.7 39.3 1.0 CA B:ASN148 4.7 41.3 1.0 CA B:GLY170 4.8 38.3 1.0 CB B:ASP145 4.9 38.0 1.0 N B:GLY144 4.9 38.5 1.0 C B:PRO146 4.9 37.4 1.0

A.Ohtaki, S.Kondo, Y.Shimura, T.Tonozuka, Y.Sakano, S.Kamitori. Role of PHE286 in the Recognition Mechanism of Cyclomaltooligosaccharides (Cyclodextrins) By Thermoactinomyces Vulgaris R-47 Alpha-Amylase 2 (Tvaii). X-Ray Structures of the Mutant Tvaiis, F286A and F286Y, and Kinetic Analyses of the PHE286-Replaced Mutant Tvaiis Carbohydr.Res. V. 334 309 2001.
ISSN: ISSN 0008-6215
PubMed: 11527532
DOI: 10.1016/S0008-6215(01)00190-2