Atomistry » Chlorine » PDB 4s28-4tsq » 4tr9
Atomistry »
  Chlorine »
    PDB 4s28-4tsq »
      4tr9 »

Chlorine in PDB 4tr9: Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor

Enzymatic activity of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor

All present enzymatic activity of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor:
4.1.2.13;

Protein crystallography data

The structure of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor, PDB code: 4tr9 was solved by G.Bosch, R.Weltzer, K.O'malley, J.Bosch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.85 / 2.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.896, 139.557, 142.099, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 26.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor (pdb code 4tr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor, PDB code: 4tr9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 1 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:78.9
occ:0.85
 CL1 A:38D401 0.0 78.9 0.8
C17 A:38D401 1.7 78.9 0.8
C16 A:38D401 2.7 78.9 0.8
C19 A:38D401 2.7 78.9 0.8
C15 A:38D401 4.0 78.9 0.8
C20 A:38D401 4.0 78.9 0.8
C14 A:38D401 4.5 78.9 0.8

Chlorine binding site 2 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 2 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:78.9
occ:0.85
 CL2 A:38D401 0.0 78.9 0.8
C20 A:38D401 1.7 78.9 0.8
C19 A:38D401 2.7 78.9 0.8
C14 A:38D401 2.8 78.9 0.8
C13 A:38D401 3.1 78.9 0.8
O A:HOH605 3.3 55.4 1.0
CB H:ASP604 3.6 69.2 1.0
N H:ASP604 3.7 69.4 1.0
C17 A:38D401 4.0 78.9 0.8
C15 A:38D401 4.0 78.9 0.8
O H:HOH703 4.2 64.0 1.0
CA H:ASP604 4.2 69.3 1.0
NH1 A:ARG153 4.3 68.1 1.0
N12 A:38D401 4.4 78.9 0.8
C16 A:38D401 4.5 78.9 0.8
N H:TRP605 4.5 73.2 1.0
CG H:ASP604 4.8 69.2 1.0
C H:ASP604 5.0 69.5 1.0
N11 A:38D401 5.0 78.9 0.8

Chlorine binding site 3 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 3 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:82.7
occ:0.87
 CL1 B:38D401 0.0 82.7 0.9
C17 B:38D401 1.7 82.7 0.9
O I:HOH702 2.3 86.6 1.0
NZ B:LYS47 2.7 81.4 1.0
C16 B:38D401 2.7 82.7 0.9
C19 B:38D401 2.7 82.7 0.9
N I:ASP604 3.3 73.5 1.0
C15 B:38D401 4.0 82.7 0.9
C20 B:38D401 4.0 82.7 0.9
CE B:LYS47 4.1 88.4 1.0
N I:TRP605 4.1 77.0 1.0
CA I:ASP604 4.3 73.4 1.0
CB I:ASP604 4.4 73.4 1.0
NH1 B:ARG48 4.5 90.1 1.0
C14 B:38D401 4.5 82.7 0.9
C I:ASP604 4.6 73.4 1.0
O I:HOH703 4.8 69.6 1.0
O B:HOH593 4.9 75.1 1.0
CA I:TRP605 5.0 77.0 1.0

Chlorine binding site 4 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 4 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:82.7
occ:0.87
 CL2 B:38D401 0.0 82.7 0.9
C20 B:38D401 1.7 82.7 0.9
C19 B:38D401 2.7 82.7 0.9
C14 B:38D401 2.7 82.7 0.9
C13 B:38D401 3.0 82.7 0.9
O B:HOH593 3.2 75.1 1.0
NH2 B:ARG153 3.9 59.2 1.0
C17 B:38D401 4.0 82.7 0.9
C15 B:38D401 4.0 82.7 0.9
NH1 B:ARG153 4.2 58.9 1.0
N12 B:38D401 4.4 82.7 0.9
CZ B:ARG153 4.5 57.8 1.0
C16 B:38D401 4.5 82.7 0.9
CD1 B:LEU117 4.8 48.1 1.0
O I:HOH703 4.9 69.6 1.0
O B:HOH623 5.0 68.2 1.0

Chlorine binding site 5 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 5 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:78.6
occ:0.93
 CL1 C:38D401 0.0 78.6 0.9
C17 C:38D401 1.7 78.6 0.9
C16 C:38D401 2.7 78.6 0.9
C19 C:38D401 2.7 78.6 0.9
C15 C:38D401 4.0 78.6 0.9
C20 C:38D401 4.0 78.6 0.9
C14 C:38D401 4.5 78.6 0.9

Chlorine binding site 6 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 6 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:78.6
occ:0.93
 CL2 C:38D401 0.0 78.6 0.9
C20 C:38D401 1.7 78.6 0.9
C19 C:38D401 2.7 78.6 0.9
C14 C:38D401 2.8 78.6 0.9
O C:HOH560 2.9 80.0 1.0
C13 C:38D401 3.2 78.6 0.9
O C:HOH616 3.5 58.5 1.0
NH1 C:ARG153 3.8 56.9 1.0
NH2 C:ARG153 3.8 65.3 1.0
C17 C:38D401 4.0 78.6 0.9
C15 C:38D401 4.0 78.6 0.9
CZ C:ARG153 4.3 57.8 1.0
N12 C:38D401 4.3 78.6 0.9
O J:HOH703 4.4 78.0 1.0
CD1 C:LEU117 4.4 28.6 1.0
C16 C:38D401 4.5 78.6 0.9
CG2 C:VAL155 4.9 50.1 1.0
O C:HOH599 5.0 67.4 1.0

Chlorine binding site 7 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 7 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl701

b:88.3
occ:0.86
 CL1 K:38D701 0.0 88.3 0.9
C17 K:38D701 1.7 88.3 0.9
C19 K:38D701 2.7 88.3 0.9
C16 K:38D701 2.7 88.3 0.9
C20 K:38D701 4.0 88.3 0.9
C15 K:38D701 4.0 88.3 0.9
C14 K:38D701 4.5 88.3 0.9

Chlorine binding site 8 out of 8 in 4tr9

Go back to Chlorine Binding Sites List in 4tr9
Chlorine binding site 8 out of 8 in the Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ternary Co-Crystal Structure of Fructose-Bisphosphate Aldolase From Plasmodium Falciparum in Complex with Trap and A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl701

b:88.3
occ:0.86
 CL2 K:38D701 0.0 88.3 0.9
C20 K:38D701 1.7 88.3 0.9
C19 K:38D701 2.7 88.3 0.9
C14 K:38D701 2.7 88.3 0.9
C13 K:38D701 3.0 88.3 0.9
O10 K:38D701 3.3 88.3 0.9
N12 K:38D701 3.4 88.3 0.9
N K:ASP604 3.4 78.6 1.0
N K:TRP605 3.5 83.4 1.0
NH1 D:ARG48 3.7 91.4 1.0
C17 K:38D701 4.0 88.3 0.9
C15 K:38D701 4.0 88.3 0.9
CA K:ASP604 4.2 78.4 1.0
CA K:TRP605 4.2 83.6 1.0
C09 K:38D701 4.2 88.3 0.9
C K:ASP604 4.2 78.5 1.0
N11 K:38D701 4.3 88.3 0.9
CB K:ASP604 4.3 78.5 1.0
CB K:TRP605 4.4 83.6 1.0
C16 K:38D701 4.5 88.3 0.9
CG2 D:THR44 4.7 72.4 1.0
CZ D:ARG48 4.9 99.9 1.0

Reference:

S.M.Nemetski, T.J.Cardozo, G.Bosch, R.Weltzer, K.O'malley, I.Ejigiri, K.A.Kumar, C.A.Buscaglia, V.Nussenzweig, P.Sinnis, J.Levitskaya, J.Bosch. Inhibition By Stabilization: Targeting the Plasmodium Falciparum Aldolase-Trap Complex. Malar.J. V. 14 324 2015.
ISSN: ESSN 1475-2875
PubMed: 26289816
DOI: 10.1186/S12936-015-0834-9
Page generated: Fri Jul 11 21:47:15 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy