Chlorine in PDB 5v0w: Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088

Enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088

All present enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088, PDB code: 5v0w 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) 49.58 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.320, 119.130, 176.610, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 18.4

Other elements in 5v0w:

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 also contains other interesting chemical elements:

Fluorine (F) 6 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-0001088 (pdb code 5v0w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088, PDB code: 5v0w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5v0w

Go back to Chlorine Binding Sites List in 5v0w
Chlorine binding site 1 out of 5 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:9.5
occ:1.00
 NZ A:LYS180 3.3 9.0 1.0
CE1 A:TYR65 3.8 12.5 1.0
CD A:LYS180 3.9 10.4 1.0
CE A:LYS180 4.0 8.5 1.0
OH A:TYR65 4.5 11.6 1.0
CZ A:TYR65 4.7 10.8 1.0
CD1 A:TYR65 4.7 10.4 1.0

Chlorine binding site 2 out of 5 in 5v0w

Go back to Chlorine Binding Sites List in 5v0w
Chlorine binding site 2 out of 5 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:9.0
occ:1.00
 NZ B:LYS180 3.3 9.5 1.0
CE2 B:TYR65 3.8 10.2 1.0
CD B:LYS180 4.0 8.6 1.0
CE B:LYS180 4.1 9.0 1.0
OH B:TYR65 4.5 12.8 1.0
CZ B:TYR65 4.6 14.2 1.0
CD2 B:TYR65 4.6 17.2 1.0

Chlorine binding site 3 out of 5 in 5v0w

Go back to Chlorine Binding Sites List in 5v0w
Chlorine binding site 3 out of 5 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:38.2
occ:1.00
 N B:LYS283 3.2 12.2 1.0
O B:HOH828 3.6 26.5 1.0
CA B:THR282 3.8 10.6 1.0
CB B:THR282 3.8 17.0 1.0
CB B:LYS283 3.9 15.7 1.0
CE1 B:HIS265 3.9 23.8 1.0
C B:THR282 4.0 10.1 1.0
OE1 B:GLU284 4.0 43.0 1.0
CA B:LYS283 4.2 12.4 1.0
CG2 B:THR282 4.5 20.7 1.0
NE2 B:HIS265 4.5 19.1 1.0
O B:HOH1064 4.7 38.4 1.0
ND1 B:HIS265 4.8 22.0 1.0
OG1 B:THR282 4.9 15.6 1.0
CD B:GLU284 5.0 46.6 1.0

Chlorine binding site 4 out of 5 in 5v0w

Go back to Chlorine Binding Sites List in 5v0w
Chlorine binding site 4 out of 5 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl506

b:10.2
occ:1.00
 NZ C:LYS180 3.2 7.3 1.0
CE2 C:TYR65 3.8 9.1 1.0
CD C:LYS180 3.8 6.8 1.0
CE C:LYS180 4.0 8.5 1.0
OH C:TYR65 4.5 9.0 1.0
CD2 C:TYR65 4.6 11.3 1.0
CZ C:TYR65 4.6 9.5 1.0

Chlorine binding site 5 out of 5 in 5v0w

Go back to Chlorine Binding Sites List in 5v0w
Chlorine binding site 5 out of 5 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:43.0
occ:1.00
 N C:LYS283 3.3 10.6 1.0
O C:HOH978 3.3 27.5 1.0
CB C:THR282 3.8 13.6 1.0
CA C:THR282 3.8 9.6 1.0
CB C:LYS283 3.9 19.8 1.0
C C:THR282 4.0 11.5 1.0
OE2 C:GLU284 4.1 37.1 1.0
CE1 C:HIS265 4.1 18.7 1.0
CA C:LYS283 4.2 14.5 1.0
CG2 C:THR282 4.4 14.2 1.0
O C:HOH1071 4.6 38.4 1.0
NE2 C:HIS265 4.7 12.5 1.0
OG1 C:THR282 4.9 13.7 1.0
ND1 C:HIS265 4.9 23.3 1.0
CD C:GLU284 4.9 41.8 1.0
OE1 C:GLU284 5.0 46.2 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-0001088 To Be Published.
Page generated: Sat Dec 12 12:33:01 2020

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