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Calcium in PDB 1cgu: Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis

Enzymatic activity of Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis

All present enzymatic activity of Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis:
2.4.1.19;

Protein crystallography data

The structure of Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis, PDB code: 1cgu was solved by C.Klein, J.Hollender, H.Bender, G.E.Schulz, 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 P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.100, 105.000, 113.900, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis (pdb code 1cgu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis, PDB code: 1cgu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1cgu

Go back to Calcium Binding Sites List in 1cgu
Calcium binding site 1 out of 2 in the Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca685

b:4.2
occ:1.00
 OD1 A:ASN139 2.3 2.0 1.0
O A:HOH738 2.3 2.0 1.0
O A:HOH745 2.4 2.0 1.0
O A:HIS233 2.5 2.0 1.0
O A:ILE190 2.6 2.0 1.0
OD1 A:ASP199 2.6 7.8 1.0
O A:HOH764 2.7 2.0 1.0
OD2 A:ASP199 2.7 2.0 1.0
CG A:ASP199 3.0 2.0 1.0
CG A:ASN139 3.5 6.2 1.0
C A:ILE190 3.7 2.3 1.0
C A:HIS233 3.7 2.0 1.0
ND2 A:ASN139 4.1 7.7 1.0
CA A:ILE190 4.2 2.0 1.0
O A:LYS192 4.3 7.4 1.0
O A:ASN139 4.3 7.8 1.0
CB A:HIS233 4.4 2.0 1.0
CB A:ASP199 4.5 3.4 1.0
CG A:MET234 4.6 3.9 1.0
O A:HOH740 4.6 23.1 1.0
N A:MET234 4.6 2.0 1.0
CA A:HIS233 4.6 2.0 1.0
CA A:MET234 4.7 2.0 1.0
CB A:ASN139 4.8 3.5 1.0
O A:PHE200 4.8 5.1 1.0
O A:HOH694 4.8 4.7 1.0
N A:TYR191 4.8 2.0 1.0
ND1 A:HIS176 4.9 5.4 1.0
O A:GLY189 4.9 2.0 1.0
CG2 A:ILE190 4.9 2.0 1.0

Calcium binding site 2 out of 2 in 1cgu

Go back to Calcium Binding Sites List in 1cgu
Calcium binding site 2 out of 2 in the Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site- Directed Mutagenesis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca686

b:5.7
occ:1.00
 O A:HOH830 2.3 14.0 1.0
OD1 A:ASN33 2.3 11.8 1.0
O A:ASN29 2.3 23.5 1.0
O A:GLY51 2.4 8.3 1.0
OD1 A:ASN32 2.4 6.5 1.0
OD1 A:ASP27 2.8 11.1 1.0
OD1 A:ASP53 3.2 3.0 1.0
CG A:ASP53 3.3 6.7 1.0
O A:ASN32 3.5 16.8 1.0
CG A:ASN32 3.5 5.2 1.0
CG A:ASP27 3.5 15.4 1.0
C A:ASN29 3.6 22.8 1.0
CG A:ASN33 3.6 18.0 1.0
C A:GLY51 3.6 9.4 1.0
CB A:ASP53 3.7 5.0 1.0
OD2 A:ASP53 3.8 12.7 1.0
C A:ASN32 3.9 17.1 1.0
ND2 A:ASN32 4.1 6.3 1.0
CA A:PRO30 4.1 21.4 1.0
OD2 A:ASP27 4.2 17.4 1.0
CA A:GLY51 4.2 11.2 1.0
N A:PRO30 4.3 22.9 1.0
ND2 A:ASN33 4.3 12.1 1.0
N A:ASN33 4.3 18.1 1.0
O A:TYR111 4.3 15.7 1.0
CB A:ASP27 4.3 18.6 1.0
CA A:ASN33 4.4 19.6 1.0
CA A:ASP27 4.4 18.9 1.0
N A:ASN29 4.5 23.6 1.0
C A:GLY52 4.5 7.3 1.0
N A:GLY52 4.6 8.3 1.0
CB A:ASN32 4.6 9.4 1.0
CB A:ASN33 4.6 17.0 1.0
CA A:ASN29 4.6 22.3 1.0
N A:ASP53 4.6 6.2 1.0
CA A:ASN32 4.7 15.7 1.0
O A:GLY52 4.7 8.0 1.0
C A:ASP27 4.7 19.5 1.0
N A:ASN32 4.7 17.7 1.0
C A:PRO30 4.8 20.6 1.0
CA A:GLY52 4.8 7.5 1.0
CA A:ASP53 4.9 6.9 1.0
N A:GLY28 5.0 20.6 1.0

Reference:

C.Klein, J.Hollender, H.Bender, G.E.Schulz. Catalytic Center of Cyclodextrin Glycosyltransferase Derived From X-Ray Structure Analysis Combined with Site-Directed Mutagenesis. Biochemistry V. 31 8740 1992.
ISSN: ISSN 0006-2960
PubMed: 1390660
DOI: 10.1021/BI00152A009
Page generated: Sat Dec 12 02:51:24 2020

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