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Chlorine in PDB 1nug: Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

Enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

All present enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form):
2.3.2.13;

Protein crystallography data

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form), PDB code: 1nug 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 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.510, 66.810, 116.530, 97.24, 90.28, 98.36
R / Rfree (%) 19.4 / 24.8

Other elements in 1nug:

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Calcium (Ca) 4 atoms

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 (2 Calciums, 1 Mg, Inactive Form) (pdb code 1nug). 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 (2 Calciums, 1 Mg, Inactive Form), PDB code: 1nug:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1nug

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Chlorine binding site 1 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)


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 (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:49.6
occ:1.00
 O A:HOH763 2.9 14.1 1.0
O A:HOH819 3.2 24.4 1.0
N A:SER186 3.2 16.0 1.0
CB A:SER186 3.6 16.4 1.0
CA A:ASP183 3.6 18.1 1.0
CB A:LEU185 3.7 15.8 1.0
N A:ASP183 3.7 18.4 1.0
C A:ASP183 3.8 17.5 1.0
N A:LEU185 3.9 16.1 1.0
CA A:SER186 3.9 16.2 1.0
O A:HOH927 4.1 32.0 1.0
CA A:LEU185 4.1 16.2 1.0
C A:LEU185 4.1 16.2 1.0
CB A:SER26 4.2 22.6 1.0
N A:ILE184 4.2 17.2 1.0
OG A:SER26 4.3 22.5 1.0
O A:ASP183 4.3 16.9 1.0
O A:HOH765 4.3 8.7 1.0
OE1 A:GLU28 4.4 21.9 1.0
CG A:LEU185 4.5 15.6 1.0
C A:ILE184 4.7 16.6 1.0
OD2 A:ASP183 4.7 20.7 1.0
CD2 A:LEU185 4.7 15.2 1.0
O A:SER25 4.8 22.5 1.0
OG A:SER186 4.8 16.8 1.0
C A:GLU182 4.9 18.7 1.0
CB A:ASP183 4.9 18.8 1.0

Chlorine binding site 2 out of 4 in 1nug

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Chlorine binding site 2 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)


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 (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl702

b:16.3
occ:1.00
 NH1 B:ARG587 3.2 23.4 1.0
O B:HOH1049 3.3 40.3 1.0
N B:ILE590 3.3 18.9 1.0
CD B:ARG169 3.5 29.7 1.0
CA B:ILE589 3.6 19.6 1.0
C B:ILE589 4.0 19.4 1.0
CB B:ILE589 4.0 19.5 1.0
CZ B:ARG587 4.1 23.7 1.0
NE B:ARG587 4.1 23.6 1.0
O B:ASP588 4.1 20.7 1.0
CD1 B:LEU492 4.3 31.4 1.0
CG2 B:ILE589 4.3 19.5 1.0
CG B:ARG169 4.3 28.7 1.0
CA B:ILE590 4.4 18.6 1.0
CB B:ILE590 4.4 18.7 1.0
O B:ILE590 4.4 18.5 1.0
CB B:ASN168 4.5 25.8 1.0
NE B:ARG169 4.6 30.3 1.0
CG1 B:ILE590 4.6 18.5 1.0
CG2 B:VAL488 4.7 34.9 1.0
N B:ILE589 4.8 20.2 1.0
C B:ILE590 4.9 18.5 1.0
CB B:ARG169 4.9 27.0 1.0
C B:ASP588 4.9 20.6 1.0
NH1 B:ARG169 5.0 31.1 1.0

Chlorine binding site 3 out of 4 in 1nug

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Chlorine binding site 3 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)


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 (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl701

b:36.4
occ:1.00
 O B:HOH929 2.9 50.5 1.0
O B:HOH768 2.9 22.4 1.0
N B:SER186 3.2 14.6 1.0
CB B:SER186 3.5 15.1 1.0
CA B:ASP183 3.5 17.4 1.0
N B:ASP183 3.7 17.6 1.0
C B:ASP183 3.7 17.0 1.0
CB B:LEU185 3.8 14.1 1.0
N B:LEU185 3.8 15.0 1.0
CA B:SER186 3.9 14.7 1.0
N B:ILE184 4.1 16.4 1.0
O B:ASP183 4.1 16.9 1.0
C B:LEU185 4.1 14.8 1.0
CA B:LEU185 4.2 14.6 1.0
O B:HOH765 4.3 13.6 1.0
CB B:SER26 4.4 22.3 1.0
OG B:SER26 4.5 22.0 1.0
O B:SER25 4.5 22.7 1.0
C B:ILE184 4.6 15.6 1.0
CG B:LEU185 4.7 14.0 1.0
OD2 B:ASP183 4.7 20.0 1.0
OG B:SER186 4.8 16.0 1.0
OE1 B:GLU28 4.8 24.4 1.0
C B:GLU182 4.8 17.8 1.0
O B:GLU181 4.9 16.3 1.0
CA B:ILE184 5.0 15.6 1.0
CB B:ASP183 5.0 18.2 1.0

Chlorine binding site 4 out of 4 in 1nug

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Chlorine binding site 4 out of 4 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)


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 (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl702

b:18.3
occ:1.00
 O A:HOH999 3.0 10.9 1.0
NH1 A:ARG587 3.2 19.1 1.0
N A:ILE590 3.5 17.0 1.0
CD A:ARG169 3.6 26.6 1.0
CA A:ILE589 3.7 16.8 1.0
CZ A:ARG587 4.1 19.6 1.0
NE A:ARG587 4.1 19.8 1.0
O A:ASP588 4.1 18.0 1.0
C A:ILE589 4.1 16.9 1.0
CB A:ILE589 4.1 16.6 1.0
CG2 A:ILE589 4.2 16.0 1.0
CD1 A:LEU492 4.4 26.7 1.0
O A:ILE590 4.4 17.6 1.0
CB A:ILE590 4.5 16.9 1.0
CA A:ILE590 4.5 17.0 1.0
CG A:ARG169 4.5 25.1 1.0
CB A:ASN168 4.5 22.2 1.0
CG2 A:VAL488 4.6 29.1 1.0
NE A:ARG169 4.6 28.0 1.0
CB A:ARG169 4.7 23.4 1.0
CG1 A:ILE590 4.8 16.6 1.0
N A:ILE589 4.8 17.2 1.0
C A:ASP588 4.9 17.6 1.0
C A:ILE590 5.0 17.3 1.0
OG A:SER166 5.0 19.0 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 18:33:01 2025

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