Atomistry » Chlorine » PDB 2vo5-2vv7 » 2vpm
Atomistry »
  Chlorine »
    PDB 2vo5-2vv7 »
      2vpm »

Chlorine in PDB 2vpm: Trypanothione Synthetase

Enzymatic activity of Trypanothione Synthetase

All present enzymatic activity of Trypanothione Synthetase:
6.3.1.9;

Protein crystallography data

The structure of Trypanothione Synthetase, PDB code: 2vpm 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) 84.82 / 2.8
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.522, 167.082, 84.921, 90.00, 94.11, 90.00
R / Rfree (%) 20.3 / 25.3

Other elements in 2vpm:

The structure of Trypanothione Synthetase also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trypanothione Synthetase (pdb code 2vpm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Trypanothione Synthetase, PDB code: 2vpm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 1 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1637

b:17.9
occ:1.00
N A:LYS547 3.2 55.0 1.0
CB A:LYS547 3.8 55.7 1.0
CA A:ALA546 3.9 53.5 1.0
CA A:LYS547 4.0 55.8 1.0
C A:ALA546 4.0 53.9 1.0
O A:LYS547 4.3 56.7 1.0
CB A:ALA546 4.5 53.1 1.0
C A:LYS547 4.6 56.5 1.0
O A:TYR545 4.8 52.6 1.0

Chlorine binding site 2 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 2 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1638

b:45.5
occ:1.00
NH1 A:ARG315 3.2 43.5 1.0
N A:PRO312 3.5 44.9 1.0
CG A:PRO312 3.5 44.7 1.0
CA A:PRO312 3.6 44.8 1.0
CD A:PRO312 3.8 45.0 1.0
C A:TRP311 3.8 45.1 1.0
CB A:TRP311 3.9 45.7 1.0
CB A:PRO312 3.9 44.8 1.0
CD A:ARG315 4.0 44.1 1.0
O A:TRP311 4.2 45.2 1.0
CZ A:ARG315 4.3 44.2 1.0
CA A:TRP311 4.5 45.3 1.0
NE A:ARG315 4.6 44.3 1.0
CE B:LYS616 4.7 42.2 1.0
OG B:SER617 4.7 42.7 1.0
CG B:LYS616 4.8 41.6 1.0

Chlorine binding site 3 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 3 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1639

b:21.9
occ:1.00
O A:HOH2016 3.2 26.0 1.0
N A:PHE55 3.2 45.5 1.0
CB A:PHE55 3.8 44.8 1.0
N A:GLU61 3.8 43.5 1.0
CB A:GLN58 4.0 45.7 1.0
CB A:VAL60 4.0 43.8 1.0
CD2 A:PHE55 4.0 43.5 1.0
CA A:GLY54 4.0 46.1 1.0
CA A:PHE55 4.1 45.1 1.0
C A:GLY54 4.1 46.0 1.0
CB A:GLU61 4.3 43.4 1.0
CG A:PHE55 4.4 44.7 1.0
O A:PHE55 4.4 44.6 1.0
C A:VAL60 4.5 43.6 1.0
CA A:GLU61 4.5 43.5 1.0
CG1 A:VAL60 4.5 44.0 1.0
CA A:VAL60 4.5 43.8 1.0
N A:VAL60 4.6 43.9 1.0
CG A:GLN58 4.8 47.7 1.0
C A:PHE55 4.8 44.8 1.0
C A:GLN58 5.0 44.9 1.0
CA A:GLN58 5.0 45.4 1.0

Chlorine binding site 4 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 4 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1640

b:33.6
occ:1.00
N A:SER122 3.4 47.4 1.0
CB A:SER122 3.8 48.3 1.0
CA A:PRO121 4.0 45.8 1.0
CB A:PRO121 4.2 45.7 1.0
CB A:CYS82 4.2 45.6 1.0
C A:PRO121 4.2 46.4 1.0
CD1 A:LEU186 4.2 39.2 1.0
CA A:SER122 4.3 48.2 1.0
SG A:CYS82 4.3 45.1 1.0
CD2 A:LEU186 4.7 37.8 1.0
CG A:LEU186 4.9 39.4 1.0
O A:CYS82 5.0 45.0 1.0

Chlorine binding site 5 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 5 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1641

b:20.5
occ:1.00
N B:LYS547 3.3 59.6 1.0
CG A:ARG6 3.6 45.2 1.0
NE A:ARG6 3.7 44.6 1.0
CB A:ARG6 3.7 45.7 1.0
NH2 A:ARG452 3.8 41.0 1.0
CA B:ALA546 4.0 58.7 1.0
CB B:LYS547 4.0 60.1 1.0
CA B:LYS547 4.1 60.1 1.0
C B:ALA546 4.1 59.0 1.0
CD A:ARG6 4.2 45.2 1.0
CA A:ARG6 4.2 45.8 1.0
O B:LYS547 4.3 60.5 1.0
NH1 A:ARG452 4.3 41.4 1.0
O B:TYR545 4.6 57.3 1.0
CZ A:ARG452 4.6 40.0 1.0
C B:LYS547 4.6 60.5 1.0
CZ A:ARG6 4.7 44.8 1.0
CB B:ALA546 4.7 58.4 1.0
N A:ALA7 4.7 45.8 1.0
NH2 A:ARG6 4.8 45.5 1.0
OG1 A:THR395 4.9 43.0 1.0
C A:ARG6 5.0 45.6 1.0

Chlorine binding site 6 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 6 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1634

b:19.1
occ:1.00
O B:HOH2015 3.2 31.8 1.0
N B:PHE55 3.3 46.9 1.0
CB B:GLN58 3.7 48.9 1.0
N B:GLU61 3.9 45.1 1.0
CA B:GLY54 4.0 47.5 1.0
CB B:PHE55 4.0 46.6 1.0
CB B:VAL60 4.0 45.9 1.0
CD2 B:PHE55 4.1 45.6 1.0
C B:GLY54 4.1 47.0 1.0
CA B:PHE55 4.2 46.9 1.0
CB B:GLU61 4.2 45.3 1.0
CG B:GLN58 4.2 50.2 1.0
CG1 B:VAL60 4.4 46.3 1.0
CA B:GLU61 4.5 45.0 1.0
O B:PHE55 4.5 46.1 1.0
C B:VAL60 4.5 45.5 1.0
CG B:PHE55 4.6 46.6 1.0
CA B:VAL60 4.6 46.1 1.0
N B:VAL60 4.6 46.8 1.0
CA B:GLN58 4.8 48.6 1.0
C B:PHE55 4.8 46.6 1.0
C B:GLN58 4.9 48.6 1.0

Chlorine binding site 7 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 7 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1635

b:45.7
occ:1.00
N B:ARG397 3.5 43.2 1.0
CD B:ARG452 3.7 41.8 1.0
CA B:GLY396 3.7 42.8 1.0
C B:GLY396 4.1 43.0 1.0
CG1 B:VAL449 4.3 44.0 1.0
CB B:ARG397 4.3 43.5 1.0
NE B:ARG452 4.4 42.0 1.0
CA B:ARG397 4.5 43.4 1.0
CG B:ARG452 4.9 41.8 1.0

Chlorine binding site 8 out of 8 in 2vpm

Go back to Chlorine Binding Sites List in 2vpm
Chlorine binding site 8 out of 8 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Trypanothione Synthetase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1636

b:35.4
occ:1.00
OH B:TYR545 3.2 55.5 1.0
N A:ARG397 3.4 42.8 1.0
CZ B:ARG541 3.4 65.1 1.0
NH1 B:ARG541 3.7 65.4 1.0
NE B:ARG541 3.7 63.6 1.0
NH2 B:ARG541 3.7 64.4 1.0
CD A:ARG452 3.8 40.1 1.0
CA A:GLY396 3.8 42.8 1.0
CE1 B:TYR545 3.9 56.1 1.0
CZ B:TYR545 4.0 55.6 1.0
C A:GLY396 4.1 42.6 1.0
CD B:ARG541 4.2 62.2 1.0
CB A:ARG397 4.2 43.2 1.0
CG B:ARG541 4.3 61.4 1.0
O A:HOH2060 4.3 25.4 1.0
NE A:ARG452 4.4 39.3 1.0
CG1 A:VAL449 4.4 40.9 1.0
CA A:ARG397 4.4 43.0 1.0
CB B:ARG541 4.8 61.2 1.0
CD2 B:LEU536 4.8 51.5 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 Dec 12 09:21:12 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy