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Chlorine in PDB 5v0x: Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114

Enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114

All present enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114, PDB code: 5v0x was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.81 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.200, 118.010, 173.710, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 22.1

Other elements in 5v0x:

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 (pdb code 5v0x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114, PDB code: 5v0x:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5v0x

Go back to Chlorine Binding Sites List in 5v0x
Chlorine binding site 1 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:13.8
occ:1.00
 O A:HOH616 2.9 23.1 1.0
NH2 A:ARG358 3.2 13.4 1.0
O A:HOH730 3.2 21.1 1.0
N A:LEU248 3.3 11.3 1.0
O A:HOH841 3.6 14.9 1.0
CA A:THR247 3.7 11.7 1.0
C A:THR247 4.0 11.4 1.0
CB A:LEU248 4.0 12.0 1.0
CG A:LEU248 4.1 18.1 1.0
CZ A:ARG358 4.1 24.1 1.0
O A:ASP246 4.1 14.0 1.0
CD1 A:LEU248 4.2 15.0 1.0
NH1 A:ARG358 4.2 24.8 1.0
CA A:LEU248 4.2 15.7 1.0
CG2 A:THR247 4.4 14.5 1.0
CB A:THR247 4.5 12.0 1.0
OG1 A:THR247 4.6 12.2 1.0
N A:THR247 4.7 13.8 1.0
C A:ASP246 4.8 17.7 1.0
O A:LEU248 4.9 17.9 1.0

Chlorine binding site 2 out of 3 in 5v0x

Go back to Chlorine Binding Sites List in 5v0x
Chlorine binding site 2 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:16.5
occ:1.00
 O B:HOH636 3.0 15.4 1.0
O B:HOH826 3.2 17.3 1.0
N B:LEU248 3.3 13.6 1.0
NH2 B:ARG358 3.4 12.5 1.0
O B:HOH782 3.6 16.1 1.0
CA B:THR247 3.7 13.0 1.0
C B:THR247 4.0 13.4 1.0
CB B:LEU248 4.0 13.4 1.0
CG B:LEU248 4.1 11.6 1.0
CG2 B:THR247 4.1 15.4 1.0
O B:ASP246 4.2 15.8 1.0
CD1 B:LEU248 4.2 11.7 1.0
CA B:LEU248 4.2 12.1 1.0
CZ B:ARG358 4.3 12.2 1.0
NH1 B:ARG358 4.4 12.0 1.0
CB B:THR247 4.4 13.4 1.0
OG1 B:THR247 4.7 16.9 1.0
N B:THR247 4.7 15.6 1.0
C B:ASP246 4.9 17.0 1.0
O B:LEU248 5.0 15.9 1.0

Chlorine binding site 3 out of 3 in 5v0x

Go back to Chlorine Binding Sites List in 5v0x
Chlorine binding site 3 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:16.0
occ:1.00
 O C:HOH837 3.1 16.1 1.0
N C:LEU248 3.2 14.3 1.0
NH2 C:ARG358 3.3 14.4 1.0
O C:HOH613 3.3 15.8 1.0
CA C:THR247 3.6 17.6 1.0
C C:THR247 3.9 14.8 1.0
O C:HOH804 3.9 18.4 1.0
CG C:LEU248 4.0 19.5 1.0
CB C:LEU248 4.0 17.5 1.0
CG2 C:THR247 4.1 16.5 1.0
O C:ASP246 4.1 15.7 1.0
CD1 C:LEU248 4.2 12.9 1.0
CZ C:ARG358 4.2 11.8 1.0
CA C:LEU248 4.2 13.7 1.0
NH1 C:ARG358 4.3 14.0 1.0
CB C:THR247 4.3 17.4 1.0
N C:THR247 4.6 15.9 1.0
OG1 C:THR247 4.7 16.9 1.0
C C:ASP246 4.7 15.4 1.0
O C:LEU248 4.9 17.3 1.0

Reference:

S.J.Mayclin, J.Abendroth, D.D.Lorimer, T.E.Edwards. Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 To Be Published.
Page generated: Fri Jul 26 18:31:32 2024

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