Calcium in PDB 1lwh: Crystal Structure of T. Maritima 4-Alpha-Glucanotransferase

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

The structure of Crystal Structure of T. Maritima 4-Alpha-Glucanotransferase, PDB code: 1lwh 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 / 2.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.567, 180.282, 199.222, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.8

The binding sites of Calcium atom in the Crystal Structure of T. Maritima 4-Alpha-Glucanotransferase (pdb code 1lwh). 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, PDB code: 1lwh:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca914 b:58.5 occ:1.00 OD1 A:ASN15 2.1 33.1 1.0 OD1 A:ASP17 2.1 38.1 1.0 OD2 A:ASP21 2.2 36.3 1.0 OD1 A:ASP13 2.2 30.1 1.0 O A:VAL19 2.2 37.2 1.0 CG A:ASP17 2.9 38.1 1.0 OD2 A:ASP17 3.0 38.1 1.0 CG A:ASN15 3.0 33.1 1.0 CG A:ASP21 3.3 36.3 1.0 ND2 A:ASN15 3.4 33.1 1.0 C A:VAL19 3.4 37.2 1.0 CG A:ASP13 3.4 30.1 1.0 CB A:ASP21 3.7 36.3 1.0 CB A:VAL19 4.0 16.3 1.0 CA A:VAL19 4.0 37.2 1.0 N A:VAL19 4.1 37.2 1.0 OD2 A:ASP13 4.2 30.1 1.0 CB A:ASP17 4.3 38.1 1.0 N A:ASN15 4.3 31.4 1.0 C A:GLY20 4.3 28.8 1.0 OD1 A:ASP21 4.3 36.3 1.0 CB A:ASP13 4.4 30.1 1.0 O A:GLY20 4.4 28.8 1.0 CB A:ASN15 4.4 33.1 1.0 O A:GLU65 4.4 27.2 1.0 N A:ASP17 4.4 42.2 1.0 N A:GLY20 4.5 28.8 1.0 N A:GLY14 4.5 31.3 1.0 N A:ASP21 4.5 23.5 1.0 CA A:ASP13 4.6 32.5 1.0 CA A:GLY20 4.7 28.8 1.0 CA A:ASN15 4.8 31.4 1.0 CA A:ASP21 4.8 23.5 1.0 CG1 A:VAL19 4.8 16.3 1.0 CA A:ASP17 4.8 42.2 1.0 N A:LEU16 4.9 32.7 1.0 N A:GLY18 5.0 27.5 1.0 C A:ASN15 5.0 31.4 1.0 C A:ASP13 5.0 32.5 1.0 CB B:ALA505 5.0 20.3 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca899 b:67.0 occ:1.00 OD1 B:ASP458 2.2 28.1 1.0 OD1 B:ASN456 2.2 26.5 1.0 O B:VAL460 2.4 30.8 1.0 OD2 B:ASP462 2.5 28.3 1.0 OD1 B:ASP454 2.8 28.5 1.0 CG B:ASN456 3.0 26.5 1.0 CG B:ASP458 3.1 28.1 1.0 ND2 B:ASN456 3.2 26.5 1.0 OD2 B:ASP458 3.3 28.1 1.0 C B:VAL460 3.4 30.8 1.0 CG B:ASP462 3.4 28.3 1.0 CB B:VAL460 3.5 17.3 1.0 CB B:ASP462 3.6 28.3 1.0 CA B:VAL460 3.8 30.8 1.0 O B:GLU506 3.9 29.9 1.0 N B:VAL460 4.0 30.8 1.0 CG B:ASP454 4.0 28.5 1.0 O B:GLY461 4.2 26.6 1.0 CG1 B:VAL460 4.2 17.3 1.0 C B:GLY461 4.3 26.6 1.0 CB B:ASP458 4.4 28.1 1.0 N B:ASP462 4.5 25.3 1.0 CB B:ASN456 4.5 26.5 1.0 N B:GLY461 4.5 26.6 1.0 CG2 B:VAL460 4.5 17.3 1.0 OD1 B:ASP462 4.6 28.3 1.0 CA B:ASP462 4.6 25.3 1.0 N B:ASN456 4.8 24.5 1.0 CB A:ALA64 4.8 21.8 1.0 N B:ASP458 4.9 34.9 1.0 CB B:ASP454 4.9 28.5 1.0 OD2 B:ASP454 4.9 28.5 1.0 CA B:GLY461 4.9 26.6 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