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Chlorine 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:

Bromine (Br) 4 atoms
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme, PDB code: 1nuf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1nuf

Go back to Chlorine Binding Sites List in 1nuf
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl701

b:27.7
occ:1.00
 ND2 A:ASN430 3.2 29.1 1.0
O A:HOH836 3.4 21.8 1.0
NE2 A:GLN669 3.5 29.8 1.0
CG A:GLN669 3.7 30.1 1.0
SD A:MET685 3.8 30.9 1.0
CG A:ASN430 4.1 30.0 1.0
CD A:GLN669 4.1 30.1 1.0
CG A:MET685 4.1 29.1 1.0
OD1 A:ASN430 4.1 30.6 1.0
CB A:SER687 4.2 30.7 1.0
CB A:GLN669 4.2 30.2 1.0
CA A:SER687 4.5 31.3 1.0
N A:SER687 4.6 30.6 1.0
CD1 A:ILE161 4.8 22.8 1.0
OG A:SER687 4.8 30.7 1.0
CA A:GLN669 4.8 30.5 1.0

Chlorine binding site 2 out of 4 in 1nuf

Go back to Chlorine Binding Sites List in 1nuf
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl703

b:17.7
occ:0.80
 O A:HOH760 3.1 24.4 1.0
N A:SER186 3.4 23.5 1.0
CB A:SER186 3.5 24.2 1.0
CA A:ASP183 3.6 29.7 1.0
N A:ASP183 3.7 30.5 1.0
CB A:SER26 3.8 29.6 1.0
C A:ASP183 3.8 28.5 1.0
CB A:LEU185 3.9 22.7 1.0
N A:LEU185 4.0 23.6 1.0
CA A:SER186 4.1 23.6 1.0
O A:HOH818 4.1 10.6 1.0
N A:ILE184 4.2 26.7 1.0
O A:ASP183 4.3 28.4 1.0
CA A:LEU185 4.3 23.0 1.0
C A:LEU185 4.4 23.1 1.0
OG A:SER26 4.5 29.5 1.0
C A:ILE184 4.7 24.5 1.0
CA A:SER26 4.8 29.7 1.0
CG A:LEU185 4.8 22.5 1.0
OG A:SER186 4.8 25.7 1.0
OD2 A:ASP183 4.8 33.8 1.0
C A:GLU182 4.9 31.1 1.0
OE1 A:GLU28 4.9 36.6 1.0
N A:SER26 4.9 29.2 1.0

Chlorine binding site 3 out of 4 in 1nuf

Go back to Chlorine Binding Sites List in 1nuf
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl704

b:48.8
occ:0.85
 OE1 A:GLN35 4.1 23.3 1.0
CD A:GLN35 4.6 23.4 1.0
CB A:TRP137 4.7 22.5 1.0
NE2 A:HIS20 4.8 21.8 1.0
O A:TRP137 4.9 24.0 1.0

Chlorine binding site 4 out of 4 in 1nuf

Go back to Chlorine Binding Sites List in 1nuf
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl705

b:28.9
occ:0.80
 NH2 A:ARG291 3.3 25.2 1.0
NH1 A:ARG291 3.6 25.7 1.0
CE A:LYS438 3.8 33.9 1.0
O A:HOH888 3.8 21.9 1.0
CZ A:ARG291 3.9 25.9 1.0
NE1 A:TRP349 4.0 23.1 1.0
CG A:LYS438 4.2 34.7 1.0
CG1 A:VAL435 4.3 33.8 1.0
CD1 A:TRP349 4.4 23.3 1.0
CD A:LYS438 4.4 34.2 1.0
NZ A:LYS438 4.6 33.6 1.0
SD A:MET433 4.7 35.5 1.0
CB A:VAL435 4.9 34.1 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: Thu Jul 10 18:32:15 2025

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