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Iodine in PDB 1f9o: Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3

Enzymatic activity of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3

All present enzymatic activity of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3:
3.2.1.4;

Protein crystallography data

The structure of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3, PDB code: 1f9o was solved by G.Parsiegla, C.Reverbel-Leroy, C.Tardif, J.P.Belaich, H.Driguez, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.600, 84.570, 121.820, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 24.3

Other elements in 1f9o:

The structure of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3 (pdb code 1f9o). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3, PDB code: 1f9o:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 1f9o

Go back to Iodine Binding Sites List in 1f9o
Iodine binding site 1 out of 2 in the Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2097

b:61.5
occ:1.00
I6 A:PIH2097 0.0 61.5 1.0
C6 A:PIH2097 2.0 61.5 1.0
C1 A:PIH2097 2.9 61.5 1.0
C5 A:PIH2097 2.9 60.8 1.0
N A:GLY183 3.7 16.3 1.0
C A:GLN181 4.1 17.0 1.0
OH A:TYR403 4.1 21.1 1.0
N A:GLN181 4.1 18.1 1.0
CE1 A:TYR403 4.1 18.9 1.0
O A:GLY183 4.1 17.8 1.0
C2 A:PIH2097 4.1 61.5 1.0
CA A:GLY183 4.2 15.5 1.0
C4 A:PIH2097 4.2 61.0 1.0
N A:ARG182 4.3 15.9 1.0
O A:GLN181 4.3 19.9 1.0
CA A:GLN181 4.3 16.6 1.0
CB A:PHE180 4.3 13.2 1.0
C A:PHE180 4.4 15.2 1.0
C A:GLY183 4.4 17.6 1.0
CZ A:TYR403 4.6 19.2 1.0
C A:ARG182 4.6 16.4 1.0
C3 A:PIH2097 4.7 61.5 1.0
O A:PHE180 4.7 15.3 1.0
OE1 A:GLU186 4.8 6.5 1.0
CA A:PHE180 4.9 15.4 1.0
CA A:ARG182 4.9 14.9 1.0

Iodine binding site 2 out of 2 in 1f9o

Go back to Iodine Binding Sites List in 1f9o
Iodine binding site 2 out of 2 in the Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Cellulase CEL48F From C. Cellulolyticum with the Thiooligosaccharide Inhibitor Pips-IG3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I2103

b:61.5
occ:1.00
I6 A:PIH2103 0.0 61.5 1.0
C6 A:PIH2103 2.1 61.5 1.0
C1 A:PIH2103 3.0 61.3 1.0
C5 A:PIH2103 3.0 60.8 1.0
ND2 A:ASN490 4.3 33.5 1.0
C2 A:PIH2103 4.3 61.1 1.0
C4 A:PIH2103 4.3 60.8 1.0
C3 A:PIH2103 4.9 61.5 1.0

Reference:

G.Parsiegla, C.Reverbel-Leroy, C.Tardif, J.P.Belaich, H.Driguez, R.Haser. Crystal Structures of the Cellulase CEL48F in Complex with Inhibitors and Substrates Give Insights Into Its Processive Action Biochemistry V. 39 11238 2000.
ISSN: ISSN 0006-2960
PubMed: 10985769
DOI: 10.1021/BI001139P
Page generated: Sun Aug 11 09:37:55 2024

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