Fluorine in PDB 1cxl: Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q

All present enzymatic activity of Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q:
2.4.1.19;

The structure of Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q, PDB code: 1cxl was solved by J.C.M.Uitdehaag, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.071, 109.281, 65.335, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Fluorine atom in the Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q (pdb code 1cxl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q, PDB code: 1cxl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q within 5.0Å range: probe atom residue distance (Å) B Occ A:F695 b:23.9 occ:1.00 F1 A:GLF695 0.0 23.9 1.0 C1 A:GLF695 1.7 20.0 1.0 O5 A:GLF695 2.5 19.6 1.0 C2 A:GLF695 2.6 19.4 1.0 O2 A:GLF695 2.9 22.4 1.0 C5 A:GLF695 2.9 18.9 1.0 C3 A:GLF695 3.1 18.4 1.0 C4 A:GLF695 3.6 18.3 1.0 C6 A:GLF695 4.3 24.1 1.0 O3 A:GLF695 4.4 21.1 1.0 O6 A:GLF695 4.4 27.5 1.0 O1 A:GLC696 4.5 18.2 1.0 O A:HOH1032 4.6 20.7 1.0

Fluorine binding site 2 out of 2 in the Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex Between A Covalent Intermediate and Bacillus Circulans Strain 251 Cgtase E257Q within 5.0Å range: probe atom residue distance (Å) B Occ A:F698 b:12.7 occ:1.00 F1 A:GLF698 0.0 12.7 1.0 C1 A:GLF698 1.6 9.9 1.0 O5 A:GLF698 2.4 11.1 1.0 C2 A:GLF698 2.5 9.5 1.0 O2 A:GLF698 2.8 11.4 1.0 C5 A:GLF698 2.8 11.7 1.0 C3 A:GLF698 3.0 10.6 1.0 C4 A:GLF698 3.5 12.0 1.0 C6 A:GLF698 4.2 17.0 1.0 O3 A:GLF698 4.3 13.1 1.0 O A:HOH971 4.3 24.1 1.0 O A:HOH1244 4.4 48.5 1.0 O6 A:GLF698 4.4 20.3 1.0 O1 A:GLC699 4.4 13.8 1.0

J.C.Uitdehaag, R.Mosi, K.H.Kalk, B.A.Van Der Veen, L.Dijkhuizen, S.G.Withers, B.W.Dijkstra. X-Ray Structures Along the Reaction Pathway of Cyclodextrin Glycosyltransferase Elucidate Catalysis in the Alpha-Amylase Family. Nat.Struct.Biol. V. 6 432 1999.
ISSN: ISSN 1072-8368
PubMed: 10331869
DOI: 10.1038/8235