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Bromine in PDB 1nuf: Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme

Enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme

All present enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme:
2.3.2.13;

Protein crystallography data

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme, PDB code: 1nuf was solved by B.Ahvazi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.740, 115.840, 61.960, 90.00, 94.14, 90.00
R / Rfree (%) 18.6 / 25.4

Other elements in 1nuf:

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Calcium (Ca) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (pdb code 1nuf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme, PDB code: 1nuf:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 1nuf

Go back to Bromine Binding Sites List in 1nuf
Bromine binding site 1 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br702

b:42.5
occ:0.75
 N A:ILE590 3.4 30.0 1.0
CD A:ARG169 3.5 32.9 1.0
NH1 A:ARG587 3.6 35.4 1.0
CG A:ARG169 3.7 32.2 1.0
CA A:ILE589 3.7 31.3 1.0
C A:ILE589 4.0 30.8 1.0
CD1 A:LEU492 4.0 37.6 1.0
CB A:ILE589 4.1 31.2 1.0
O A:ASP588 4.2 34.5 1.0
O A:ILE590 4.3 30.4 1.0
CB A:ILE590 4.3 29.1 1.0
CA A:ILE590 4.3 29.5 1.0
CB A:ASN168 4.4 31.8 1.0
NE A:ARG587 4.4 36.0 1.0
CG2 A:ILE589 4.4 31.0 1.0
CG2 A:VAL488 4.4 45.9 1.0
CZ A:ARG587 4.4 35.9 1.0
CG1 A:ILE590 4.6 28.8 1.0
OD1 A:ASN168 4.8 33.1 1.0
NE A:ARG169 4.8 33.5 1.0
C A:ILE590 4.8 29.5 1.0
N A:ILE589 4.9 32.6 1.0
C A:ASP588 5.0 34.0 1.0

Bromine binding site 2 out of 4 in 1nuf

Go back to Bromine Binding Sites List in 1nuf
Bromine binding site 2 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br707

b:39.9
occ:0.50
 N A:TRP236 3.2 29.7 1.0
CA A:TRP236 3.9 29.5 1.0
N A:SER237 4.0 29.5 1.0
C A:TRP236 4.0 29.5 1.0
CA A:ASN235 4.0 29.4 1.0
CB A:TRP236 4.1 29.2 1.0
ND2 A:ASN235 4.1 29.5 1.0
C A:ASN235 4.1 29.4 1.0
CE3 A:TRP236 4.3 29.2 1.0
CB A:SER237 4.6 29.3 1.0
O A:TRP236 4.6 29.6 1.0
CA A:SER237 4.7 29.6 1.0
CG A:ASN235 4.8 29.7 1.0
N A:ASN235 4.9 29.5 1.0
CG A:TRP236 5.0 29.6 1.0

Bromine binding site 3 out of 4 in 1nuf

Go back to Bromine Binding Sites List in 1nuf
Bromine binding site 3 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br708

b:39.6
occ:0.50
 N A:ASP227 3.4 39.9 1.0
ND2 A:ASN226 3.4 38.8 1.0
NH2 A:ARG359 3.9 51.2 1.0
CE1 A:PHE364 4.1 42.2 1.0
CA A:ASN226 4.1 38.9 1.0
CA A:ASP227 4.2 40.8 1.0
CB A:ASN226 4.2 38.6 1.0
CG A:ASN226 4.2 38.5 1.0
C A:ASN226 4.3 39.4 1.0
CD1 A:PHE364 4.4 42.5 1.0
OD1 A:ASP227 4.6 41.2 1.0
N A:ASP228 4.9 41.9 1.0

Bromine binding site 4 out of 4 in 1nuf

Go back to Bromine Binding Sites List in 1nuf
Bromine binding site 4 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br709

b:32.6
occ:0.50
 N A:LEU638 3.3 24.7 1.0
CB A:LEU638 3.6 24.2 1.0
CA A:LEU637 4.0 25.0 1.0
C A:LEU637 4.0 25.1 1.0
CA A:LEU638 4.0 24.6 1.0
CD2 A:LEU637 4.4 25.4 1.0
CD2 A:LEU638 4.5 23.8 1.0
CG A:LEU638 4.5 24.2 1.0
CB A:LEU661 4.7 40.8 1.0
N A:LEU661 4.7 40.4 1.0
O A:LEU661 4.7 41.4 1.0
CB A:LEU637 4.7 25.4 1.0
O A:LEU638 4.8 25.6 1.0
O A:LEU636 4.8 25.8 1.0
CD1 A:LEU638 4.9 23.7 1.0
C A:LEU638 4.9 25.3 1.0

Reference:

B.Ahvazi, K.M.Boeshans, W.Idler, U.Baxa, P.M.Steinert. Roles of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme J.Biol.Chem. V. 278 23834 2003.
ISSN: ISSN 0021-9258
PubMed: 12679341
DOI: 10.1074/JBC.M301162200
Page generated: Sat Dec 12 02:02:55 2020

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