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Chlorine in PDB 2vps: Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase

Enzymatic activity of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase

All present enzymatic activity of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase:
6.3.1.9;

Protein crystallography data

The structure of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase, PDB code: 2vps was solved by P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.33 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.050, 85.600, 168.340, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25

Other elements in 2vps:

The structure of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase (pdb code 2vps). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase, PDB code: 2vps:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2vps

Go back to Chlorine Binding Sites List in 2vps
Chlorine binding site 1 out of 5 in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1653

b:52.2
occ:1.00
 N A:ARG397 3.4 54.9 1.0
CA A:GLY396 3.7 55.1 1.0
CD A:ARG452 4.0 53.6 1.0
C A:GLY396 4.0 55.1 1.0
CB A:ARG397 4.1 55.1 1.0
CA A:ARG397 4.4 54.8 1.0
NE A:ARG452 4.4 54.1 1.0
CG1 A:VAL449 4.5 50.9 1.0
CG A:ARG452 4.8 52.5 1.0
N A:GLY396 5.0 55.4 1.0

Chlorine binding site 2 out of 5 in 2vps

Go back to Chlorine Binding Sites List in 2vps
Chlorine binding site 2 out of 5 in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1654

b:80.5
occ:1.00
 NH2 A:ARG167 3.3 61.6 1.0
NH1 A:ARG167 3.9 60.5 1.0
CZ A:ARG167 4.1 60.7 1.0

Chlorine binding site 3 out of 5 in 2vps

Go back to Chlorine Binding Sites List in 2vps
Chlorine binding site 3 out of 5 in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1655

b:47.5
occ:1.00
 N A:PHE55 3.4 57.4 1.0
OE1 A:GLN58 3.5 65.5 1.0
CB A:GLN58 3.6 58.9 1.0
O A:HOH2015 3.7 47.5 1.0
N A:GLU61 3.8 57.7 1.0
CB A:VAL60 4.0 57.2 1.0
CB A:PHE55 4.0 57.0 1.0
CA A:GLY54 4.1 58.4 1.0
CD2 A:PHE55 4.1 55.6 1.0
C A:GLY54 4.2 58.0 1.0
CA A:PHE55 4.2 57.1 1.0
CB A:GLU61 4.3 57.4 1.0
CD A:GLN58 4.4 61.6 1.0
CA A:GLU61 4.5 57.7 1.0
N A:VAL60 4.5 57.6 1.0
C A:VAL60 4.5 57.4 1.0
CA A:VAL60 4.5 57.5 1.0
O A:PHE55 4.5 57.4 1.0
CG A:PHE55 4.6 56.0 1.0
CG A:GLN58 4.6 60.5 1.0
CA A:GLN58 4.7 58.8 1.0
CG1 A:VAL60 4.7 56.0 1.0
CG2 A:VAL60 4.8 56.6 1.0
C A:GLN58 4.8 58.5 1.0
C A:PHE55 4.9 57.3 1.0

Chlorine binding site 4 out of 5 in 2vps

Go back to Chlorine Binding Sites List in 2vps
Chlorine binding site 4 out of 5 in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1656

b:52.4
occ:1.00
 NH1 A:ARG315 3.2 51.5 1.0
N A:PRO312 3.6 60.0 1.0
CD A:PRO312 3.7 59.8 1.0
CD A:ARG315 3.8 53.9 1.0
CB A:TRP311 3.9 60.3 1.0
CG A:PRO312 3.9 60.2 1.0
CA A:PRO312 4.0 60.0 1.0
C A:TRP311 4.0 60.0 1.0
CZ A:ARG315 4.3 52.1 1.0
O A:TRP311 4.4 60.4 1.0
NE A:ARG315 4.5 53.4 1.0
CB A:PRO312 4.5 60.2 1.0
CA A:TRP311 4.6 60.2 1.0

Chlorine binding site 5 out of 5 in 2vps

Go back to Chlorine Binding Sites List in 2vps
Chlorine binding site 5 out of 5 in the Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Bifunctional Leishmania Major Trypanothione Synthetase-Amidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1659

b:37.6
occ:1.00
 NH2 A:ARG197 3.7 74.5 1.0
CD A:PRO202 4.0 67.8 1.0
CB A:ALA201 4.5 69.0 1.0
CG A:PRO202 4.6 67.4 1.0
NH1 A:ARG197 4.6 73.1 1.0
CZ A:ARG197 4.6 73.9 1.0

Reference:

P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter. Leishmania Trypanothione Synthetase-Amidase Structure Reveals A Basis For Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem. V. 283 17672 2008.
ISSN: ISSN 0021-9258
PubMed: 18420578
DOI: 10.1074/JBC.M801850200
Page generated: Sat Jul 20 12:06:50 2024

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