Atomistry » Chlorine » PDB 2vo6-2vv8 » 2vpm
Atomistry »
  Chlorine »
    PDB 2vo6-2vv8 »
      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 Jul 20 12:05:48 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy