Calcium in PDB 1lwj: Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex

All present enzymatic activity of Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex:
2.4.1.25;

The structure of Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex, PDB code: 1lwj was solved by A.Roujeinikova, C.Raasch, S.Sedelnikova, W.Liebl, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.542, 181.354, 197.317, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 30.2

The binding sites of Calcium atom in the Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex (pdb code 1lwj). 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 T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex, PDB code: 1lwj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex


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 T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca883 b:75.1 occ:1.00 OD2 A:ASP21 2.1 58.5 1.0 OD1 A:ASP17 2.2 46.1 1.0 OD1 A:ASN15 2.3 58.5 1.0 O A:VAL19 2.4 53.5 1.0 OD1 A:ASP13 2.5 50.3 1.0 CG A:ASP17 2.9 46.1 1.0 OD2 A:ASP17 3.1 46.1 1.0 CG A:ASN15 3.2 58.5 1.0 CG A:ASP21 3.3 58.5 1.0 C A:VAL19 3.5 53.5 1.0 ND2 A:ASN15 3.5 58.5 1.0 CG A:ASP13 3.8 50.3 1.0 CB A:ASP21 3.8 58.5 1.0 CB A:VAL19 3.8 35.4 1.0 CA A:VAL19 4.0 53.5 1.0 O A:GLU65 4.0 45.7 1.0 N A:VAL19 4.0 53.5 1.0 CB A:ASP17 4.2 46.1 1.0 CB B:ALA505 4.3 72.6 1.0 OD1 A:ASP21 4.3 58.5 1.0 N A:ASN15 4.4 52.1 1.0 C A:GLY20 4.6 52.6 1.0 CB A:ASN15 4.6 58.5 1.0 CB A:ASP13 4.6 50.3 1.0 N A:ASP21 4.6 72.4 1.0 N A:GLY14 4.6 50.5 1.0 N A:GLY20 4.6 52.6 1.0 OD2 A:ASP13 4.7 50.3 1.0 N A:ASP17 4.7 51.7 1.0 O A:GLY20 4.7 52.6 1.0 CA A:ASP13 4.7 49.7 1.0 CG2 A:VAL19 4.7 35.4 1.0 CG1 A:VAL19 4.8 35.4 1.0 CA A:ASP21 4.8 72.4 1.0 CA A:ASP17 4.9 51.7 1.0 CA A:ASN15 4.9 52.1 1.0 CA A:GLY20 5.0 52.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex


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 T. Maritima 4-Alpha- Glucanotransferase/Acarbose Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca10 b:79.4 occ:1.00 OD1 B:ASN456 2.0 72.8 1.0 OD1 B:ASP458 2.1 58.1 1.0 OD2 B:ASP462 2.3 48.3 1.0 O B:VAL460 2.4 53.9 1.0 CG B:ASP458 2.8 58.1 1.0 CG B:ASN456 2.9 72.8 1.0 OD1 B:ASP454 2.9 58.2 1.0 OD2 B:ASP458 2.9 58.1 1.0 ND2 B:ASN456 3.1 72.8 1.0 C B:VAL460 3.2 53.9 1.0 CG B:ASP462 3.3 48.3 1.0 CB B:VAL460 3.6 35.4 1.0 CB B:ASP462 3.7 48.3 1.0 CA B:VAL460 3.8 53.9 1.0 N B:VAL460 3.9 53.9 1.0 O B:GLU506 4.0 51.1 1.0 CG B:ASP454 4.1 58.2 1.0 O B:GLY461 4.1 45.7 1.0 C B:GLY461 4.2 45.7 1.0 CG1 B:VAL460 4.3 35.4 1.0 N B:GLY461 4.3 45.7 1.0 CB B:ASN456 4.3 72.8 1.0 CB B:ASP458 4.3 58.1 1.0 N B:ASN456 4.3 55.8 1.0 OD1 B:ASP462 4.4 48.3 1.0 N B:ASP462 4.5 47.5 1.0 N B:ASP458 4.6 83.4 1.0 CA B:GLY461 4.6 45.7 1.0 CB B:ASP454 4.7 58.2 1.0 CA B:ASN456 4.7 55.8 1.0 CA B:ASP462 4.7 47.5 1.0 N B:GLY455 4.7 55.2 1.0 CG2 B:VAL460 4.8 35.4 1.0 CA B:ASP454 4.8 69.0 1.0 CA B:ASP458 4.8 83.4 1.0 C B:ASN456 4.9 55.8 1.0 C B:ASP458 4.9 83.4 1.0 CB A:ALA64 4.9 20.8 1.0

A.Roujeinikova, C.Raasch, S.Sedelnikova, W.Liebl, D.W.Rice. Crystal Structure of Thermotoga Maritima 4-Alpha-Glucanotransferase and Its Acarbose Complex: Implications For Substrate Specificity and Catalysis J.Mol.Biol. V. 321 149 2002.
ISSN: ISSN 0022-2836
PubMed: 12139940
DOI: 10.1016/S0022-2836(02)00570-3