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Iodine in PDB 1cel: The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei

Enzymatic activity of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei

All present enzymatic activity of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei:
3.2.1.91;

Protein crystallography data

The structure of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei, PDB code: 1cel was solved by C.Divne, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.50 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 84.000, 86.200, 111.800, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / n/a

Other elements in 1cel:

The structure of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei (pdb code 1cel). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei, PDB code: 1cel:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 1cel

Go back to Iodine Binding Sites List in 1cel
Iodine binding site 1 out of 2 in the The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I436

b:38.0
occ:1.00
I A:IBZ436 0.0 38.0 1.0
C2 A:IBZ436 2.2 26.7 1.0
C3 A:IBZ436 3.0 26.5 1.0
C1 A:IBZ436 3.1 23.6 1.0
C A:IBZ436 3.4 23.5 1.0
O A:HOH528 3.6 26.1 1.0
O A:HOH582 3.8 25.1 1.0
CD1 A:TRP376 4.0 18.1 1.0
OH A:TYR381 4.0 25.7 1.0
O5 A:BGC437 4.2 19.7 1.0
CB A:ALA372 4.2 13.3 1.0
CE2 A:TYR371 4.2 25.6 1.0
CD2 A:TYR371 4.3 25.0 1.0
CG A:TRP376 4.3 18.3 1.0
C4 A:IBZ436 4.4 25.8 1.0
C6 A:IBZ436 4.4 17.9 1.0
CZ A:TYR381 4.4 22.1 1.0
CB A:TRP376 4.5 15.7 1.0
NH1 A:ARG251 4.5 22.5 1.0
S A:IBZ436 4.5 22.5 1.0
CE2 A:TYR381 4.5 21.6 1.0
C6 A:BGC437 4.6 23.8 1.0
NH2 A:ARG251 4.6 21.2 1.0
NE1 A:TRP376 4.7 16.2 1.0
OG1 A:THR246 4.7 43.6 1.0
C1 A:BGC437 4.8 21.0 1.0
O6 A:BGC437 4.8 28.8 1.0
CZ A:ARG251 4.9 21.3 1.0
C5 A:IBZ436 4.9 16.2 1.0
C5 A:BGC437 4.9 21.8 1.0

Iodine binding site 2 out of 2 in 1cel

Go back to Iodine Binding Sites List in 1cel
Iodine binding site 2 out of 2 in the The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I436

b:32.6
occ:1.00
I B:IBZ436 0.0 32.6 1.0
C2 B:IBZ436 2.2 21.9 1.0
C3 B:IBZ436 3.0 21.5 1.0
C1 B:IBZ436 3.1 19.2 1.0
C B:IBZ436 3.4 19.9 1.0
O B:HOH525 3.5 32.4 1.0
O B:HOH579 3.8 22.6 1.0
CD1 B:TRP376 4.1 14.5 1.0
OH B:TYR381 4.1 25.4 1.0
O5 B:GLC437 4.1 15.2 1.0
CD2 B:TYR371 4.2 24.8 1.0
CE2 B:TYR371 4.2 26.0 1.0
CB B:ALA372 4.2 11.8 1.0
CG B:TRP376 4.3 14.5 1.0
C4 B:IBZ436 4.3 20.3 1.0
C6 B:IBZ436 4.4 11.1 1.0
S B:IBZ436 4.5 19.1 1.0
NH2 B:ARG251 4.5 14.9 1.0
CB B:TRP376 4.5 12.8 1.0
NH1 B:ARG251 4.5 19.3 1.0
CZ B:TYR381 4.5 20.4 1.0
CE2 B:TYR381 4.5 20.1 1.0
C6 B:GLC437 4.6 19.2 1.0
OG1 B:THR246 4.7 41.3 1.0
C1 B:GLC437 4.8 16.2 1.0
NE1 B:TRP376 4.8 14.8 1.0
CZ B:ARG251 4.8 16.6 1.0
C5 B:IBZ436 4.9 8.7 1.0
C5 B:GLC437 4.9 17.0 1.0

Reference:

C.Divne, J.Stahlberg, T.Reinikainen, L.Ruohonen, G.Pettersson, J.K.Knowles, T.T.Teeri, T.A.Jones. The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I From Trichoderma Reesei. Science V. 265 524 1994.
ISSN: ISSN 0036-8075
PubMed: 8036495
Page generated: Sun Dec 13 19:19:15 2020

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