Calcium in PDB 1ciu: Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0.

All present enzymatic activity of Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0.:
2.4.1.19;

The structure of Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0., PDB code: 1ciu was solved by R.M.A.Knegtel, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.900, 97.400, 115.800, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0. (pdb code 1ciu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0., PDB code: 1ciu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca684 b:19.5 occ:1.00 O A:HOH943 2.1 28.4 1.0 O A:HOH945 2.3 42.4 1.0 O A:ILE191 2.4 13.0 1.0 O A:HIS234 2.4 14.4 1.0 OD2 A:ASP200 2.7 26.2 1.0 OD1 A:ASN140 2.8 21.0 1.0 O A:HOH942 2.8 26.6 1.0 OD1 A:ASP200 3.0 16.8 1.0 CG A:ASP200 3.2 18.9 1.0 C A:ILE191 3.5 15.0 1.0 C A:HIS234 3.7 14.1 1.0 CG A:ASN140 3.9 24.1 1.0 CA A:ILE191 4.2 9.6 1.0 O A:ASN140 4.3 17.7 1.0 O A:ARG193 4.4 20.5 1.0 ND2 A:ASN140 4.5 25.2 1.0 CG A:MET235 4.5 14.9 1.0 CA A:MET235 4.5 9.5 1.0 N A:MET235 4.5 10.0 1.0 CB A:HIS234 4.6 11.1 1.0 N A:TYR192 4.6 13.4 1.0 ND1 A:HIS177 4.6 18.7 1.0 NE2 A:GLN203 4.6 22.5 1.0 CA A:HIS234 4.6 10.1 1.0 CB A:ASP200 4.7 14.4 1.0 O A:GLY190 4.7 15.7 1.0 CG2 A:ILE191 4.7 11.9 1.0 O A:LEU201 4.8 17.4 1.0 CE1 A:HIS177 4.8 17.9 1.0 CA A:TYR192 4.9 12.9 1.0

Calcium binding site 2 out of 2 in the Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Thermostable Cgtase From Thermoanaerobacterium Thermosulfurigenes EM1 at pH 8.0. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:15.8 occ:1.00 OD2 A:ASP53 2.2 17.4 1.0 O A:ASN29 2.2 21.4 1.0 OD1 A:ASN33 2.3 25.4 1.0 OD1 A:ASP27 2.3 24.3 1.0 OD1 A:ASN32 2.4 14.2 1.0 O A:HOH944 2.5 28.5 1.0 O A:GLY51 2.6 19.2 1.0 CG A:ASP53 3.3 20.5 1.0 C A:ASN29 3.3 22.2 1.0 CG A:ASP27 3.4 23.7 1.0 CG A:ASN33 3.4 25.4 1.0 CG A:ASN32 3.5 23.6 1.0 C A:GLY51 3.7 19.4 1.0 ND2 A:ASN32 3.9 8.7 1.0 CB A:ASP53 4.0 17.1 1.0 N A:ASN29 4.0 19.6 1.0 CA A:ASN29 4.1 19.9 1.0 OD2 A:ASP27 4.1 24.8 1.0 N A:ASN33 4.1 17.5 1.0 CA A:GLY51 4.2 15.6 1.0 ND2 A:ASN33 4.2 19.9 1.0 OD1 A:ASP53 4.3 21.9 1.0 N A:THR30 4.3 18.5 1.0 O A:TYR112 4.3 17.1 1.0 CA A:ASP27 4.4 16.6 1.0 CB A:ASP27 4.4 18.1 1.0 CA A:ASN33 4.4 17.9 1.0 CA A:THR30 4.5 18.3 1.0 CB A:ASN29 4.5 27.0 1.0 CB A:ASN33 4.5 13.6 1.0 C A:ASN32 4.6 19.3 1.0 C A:ASP27 4.6 21.1 1.0 C A:GLY52 4.7 20.3 1.0 CB A:ASN32 4.7 14.7 1.0 N A:GLY28 4.8 16.4 1.0 O A:GLY52 4.8 21.3 1.0 N A:GLY52 4.8 14.7 1.0 N A:ASN32 4.8 14.3 1.0 N A:ASP53 4.9 16.6 1.0 CA A:ASN32 4.9 13.9 1.0 C A:THR30 4.9 21.8 1.0 O A:HOH785 5.0 22.3 1.0

R.M.Knegtel, R.D.Wind, H.J.Rozeboom, K.H.Kalk, R.M.Buitelaar, L.Dijkhuizen, B.W.Dijkstra. Crystal Structure at 2.3 A Resolution and Revised Nucleotide Sequence of the Thermostable Cyclodextrin Glycosyltransferase From Thermonanaerobacterium Thermosulfurigenes EM1. J.Mol.Biol. V. 256 611 1996.
ISSN: ISSN 0022-2836
PubMed: 8604143
DOI: 10.1006/JMBI.1996.0113