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Chlorine in PDB 6maz: Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366

Enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366

All present enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366, PDB code: 6maz 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) 50.00 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.500, 121.250, 177.930, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 16.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 (pdb code 6maz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366, PDB code: 6maz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6maz

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Chlorine binding site 1 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


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 N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:10.7
occ:1.00
 O A:HOH665 3.1 13.3 1.0
NH2 A:ARG358 3.2 10.6 1.0
N A:LEU248 3.3 9.3 1.0
O A:HOH895 3.3 13.4 1.0
CA A:THR247 3.6 9.9 1.0
O A:HOH1029 3.8 13.1 1.0
C A:THR247 4.0 10.4 1.0
CG2 A:THR247 4.0 9.7 1.0
CG A:LEU248 4.1 7.8 1.0
CB A:LEU248 4.1 7.9 1.0
O A:ASP246 4.1 10.4 1.0
CZ A:ARG358 4.2 11.6 1.0
CD1 A:LEU248 4.2 11.9 1.0
NH1 A:ARG358 4.3 12.0 1.0
CA A:LEU248 4.3 9.0 1.0
CB A:THR247 4.3 10.1 1.0
OG1 A:THR247 4.6 10.6 1.0
N A:THR247 4.6 9.9 1.0
C A:ASP246 4.8 9.7 1.0
O A:LEU248 5.0 11.6 1.0

Chlorine binding site 2 out of 9 in 6maz

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Chlorine binding site 2 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


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 N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:81.8
occ:1.00
 CLF A:646503 0.0 81.8 1.0
CAW A:646503 1.8 57.6 1.0
O A:HOH1027 2.6 29.2 1.0
CAJ A:646503 2.7 43.3 1.0
CBC A:646503 2.8 46.3 1.0
O A:HOH696 2.9 45.7 1.0
OAD A:646503 3.0 55.9 1.0
CB A:GLU386 3.1 25.4 1.0
SBF A:646503 3.2 46.1 1.0
O A:HOH700 3.3 51.5 1.0
CG A:GLU386 3.3 39.6 1.0
NAT A:646503 3.4 33.9 1.0
CAB A:646503 3.8 35.7 1.0
CAZ A:646503 4.0 25.8 1.0
CAX A:646503 4.0 30.8 1.0
O A:HOH804 4.1 24.9 1.0
CBB A:646503 4.4 30.4 1.0
CB A:ASP98 4.5 13.8 1.0
CA A:ASP98 4.5 15.4 1.0
CA A:GLU386 4.5 18.2 1.0
CAV A:646503 4.5 25.8 1.0
CAK A:646503 4.5 27.2 1.0
CD A:GLU386 4.5 49.2 1.0
OD1 A:ASP385 4.6 49.5 1.0
OE2 A:GLU386 4.7 58.2 1.0
OAE A:646503 4.8 50.0 1.0
N A:GLU386 4.8 18.2 1.0
N A:ASP99 4.9 19.3 1.0

Chlorine binding site 3 out of 9 in 6maz

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Chlorine binding site 3 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


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 N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:30.3
occ:1.00
 CLG A:646503 0.0 30.3 1.0
CAX A:646503 1.8 30.8 1.0
CAK A:646503 2.7 27.2 1.0
CBC A:646503 2.8 46.3 1.0
OAE A:646503 2.8 50.0 1.0
O A:HOH609 2.9 45.4 1.0
OH A:TYR334 3.2 16.0 1.0
SBF A:646503 3.3 46.1 1.0
CZ A:PHE105 3.5 19.5 1.0
CE2 A:TYR334 3.6 10.6 1.0
CE1 A:TYR211 3.7 15.2 1.0
CZ A:TYR334 3.9 12.5 1.0
CE1 A:PHE105 3.9 18.8 1.0
CZ A:TYR211 3.9 17.5 1.0
CD1 A:TYR211 4.0 15.6 1.0
CAZ A:646503 4.0 25.8 1.0
CAW A:646503 4.0 57.6 1.0
CBB A:646503 4.1 30.4 1.0
C2 A:EDO504 4.2 21.0 1.0
NAT A:646503 4.3 33.9 1.0
OH A:TYR211 4.3 19.7 1.0
CAV A:646503 4.4 25.8 1.0
CE2 A:TYR211 4.4 18.5 1.0
CG A:TYR211 4.5 13.8 1.0
CAU A:646503 4.5 32.2 1.0
CAJ A:646503 4.5 43.3 1.0
CD2 A:TYR211 4.6 14.7 1.0
OAD A:646503 4.7 55.9 1.0
CE2 A:PHE105 4.7 22.8 1.0
CAB A:646503 4.8 35.7 1.0
NBE A:646503 4.8 30.9 1.0
C1 A:EDO504 4.9 20.9 1.0
CD2 A:TYR334 4.9 9.0 1.0
NAR A:646503 4.9 27.3 1.0
O2 A:EDO504 4.9 20.6 1.0

Chlorine binding site 4 out of 9 in 6maz

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Chlorine binding site 4 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


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 N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:85.1
occ:1.00
 CLF B:646501 0.0 85.1 1.0
CAW B:646501 1.8 61.3 1.0
O B:HOH870 2.5 37.8 1.0
O B:HOH917 2.6 39.2 1.0
CAJ B:646501 2.7 47.6 1.0
CBC B:646501 2.8 48.4 1.0
OAD B:646501 3.0 45.7 1.0
CB B:GLU386 3.2 29.6 1.0
SBF B:646501 3.3 47.1 1.0
CG B:GLU386 3.4 42.2 1.0
NAT B:646501 3.5 42.2 1.0
CAB B:646501 3.8 26.1 1.0
CAZ B:646501 4.0 34.0 1.0
CAX B:646501 4.0 33.3 1.0
O B:HOH936 4.1 32.2 1.0
O B:HOH888 4.4 33.9 1.0
CBB B:646501 4.4 30.8 1.0
CA B:ASP98 4.4 21.6 1.0
CB B:ASP98 4.4 20.9 1.0
OD2 B:ASP385 4.4 48.5 1.0
CAV B:646501 4.5 25.1 1.0
CD B:GLU386 4.5 49.8 1.0
CAK B:646501 4.5 34.0 1.0
CA B:GLU386 4.6 18.3 1.0
O B:HOH602 4.6 21.2 0.5
OE1 B:GLU386 4.7 54.5 1.0
N B:ASP99 4.8 33.6 1.0
OAE B:646501 4.8 47.1 1.0
O B:HOH602 4.9 21.0 0.5
N B:GLU386 4.9 18.6 1.0

Chlorine binding site 5 out of 9 in 6maz

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Chlorine binding site 5 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


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 N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:34.0
occ:1.00
 CLG B:646501 0.0 34.0 1.0
CAX B:646501 1.8 33.3 1.0
CAK B:646501 2.7 34.0 1.0
CBC B:646501 2.8 48.4 1.0
OAE B:646501 2.8 47.1 1.0
OH B:TYR334 3.2 16.1 1.0
SBF B:646501 3.4 47.1 1.0
CZ B:PHE105 3.6 22.8 1.0
CE2 B:TYR334 3.7 10.3 1.0
CE1 B:TYR211 3.7 15.7 1.0
CZ B:TYR211 3.9 17.7 1.0
CZ B:TYR334 3.9 11.9 1.0
CE1 B:PHE105 4.0 22.0 1.0
CD1 B:TYR211 4.0 16.4 1.0
CAZ B:646501 4.0 34.0 1.0
CAW B:646501 4.0 61.3 1.0
C1 B:EDO504 4.2 19.8 1.0
CBB B:646501 4.2 30.8 1.0
NAT B:646501 4.3 42.2 1.0
CE2 B:TYR211 4.3 18.7 1.0
OH B:TYR211 4.3 19.0 1.0
CG B:TYR211 4.4 14.1 1.0
CAV B:646501 4.5 25.1 1.0
CAJ B:646501 4.5 47.6 1.0
CD2 B:TYR211 4.5 15.5 1.0
CAU B:646501 4.6 33.1 1.0
OAD B:646501 4.7 45.7 1.0
CE2 B:PHE105 4.8 21.8 1.0
CD2 B:TYR334 4.9 11.7 1.0
CAB B:646501 4.9 26.1 1.0
NBE B:646501 4.9 25.8 1.0
C2 B:EDO504 4.9 22.8 1.0
NAR B:646501 5.0 30.4 1.0
O1 B:EDO504 5.0 22.6 1.0

Chlorine binding site 6 out of 9 in 6maz

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Chlorine binding site 6 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:10.8
occ:1.00
 O B:HOH719 3.0 13.8 1.0
N B:LEU248 3.2 9.7 1.0
NH2 B:ARG358 3.3 12.7 1.0
O B:HOH833 3.3 13.2 1.0
CA B:THR247 3.6 10.1 1.0
O B:HOH1007 3.8 15.5 1.0
C B:THR247 3.9 11.1 1.0
CG2 B:THR247 4.0 11.1 1.0
CB B:LEU248 4.1 9.4 1.0
O B:ASP246 4.1 10.4 1.0
CG B:LEU248 4.1 9.6 1.0
CZ B:ARG358 4.2 12.3 1.0
CD1 B:LEU248 4.2 12.5 1.0
CA B:LEU248 4.2 9.5 1.0
NH1 B:ARG358 4.3 11.4 1.0
CB B:THR247 4.3 10.4 1.0
N B:THR247 4.7 10.3 1.0
OG1 B:THR247 4.7 10.7 1.0
C B:ASP246 4.8 10.2 1.0
O B:LEU248 5.0 11.3 1.0

Chlorine binding site 7 out of 9 in 6maz

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Chlorine binding site 7 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:28.2
occ:1.00
 CLF C:646502 0.0 28.2 1.0
CAW C:646502 1.8 26.1 1.0
CAJ C:646502 2.7 24.4 1.0
OAE C:646502 2.8 32.3 1.0
CBC C:646502 2.8 36.6 1.0
O C:HOH608 3.0 44.9 1.0
OH C:TYR334 3.3 14.8 1.0
SBF C:646502 3.4 37.3 1.0
CZ C:PHE105 3.6 17.8 1.0
CE2 C:TYR211 3.7 14.3 1.0
CE2 C:TYR334 3.7 11.9 1.0
CE1 C:PHE105 3.9 18.4 1.0
CZ C:TYR334 4.0 13.7 1.0
CZ C:TYR211 4.0 17.9 1.0
CBB C:646502 4.0 22.5 1.0
CAZ C:646502 4.0 26.9 1.0
CD2 C:TYR211 4.0 15.3 1.0
CAX C:646502 4.1 52.1 1.0
C2 C:EDO504 4.2 18.9 1.0
NAT C:646502 4.2 26.8 1.0
CAU C:646502 4.3 25.7 1.0
CAV C:646502 4.3 25.8 1.0
OH C:TYR211 4.4 18.7 1.0
CAK C:646502 4.5 45.4 1.0
CE1 C:TYR211 4.6 13.7 1.0
NBE C:646502 4.6 23.0 1.0
CG C:TYR211 4.6 13.9 1.0
NAR C:646502 4.6 22.6 1.0
CE2 C:PHE105 4.8 15.8 1.0
CAA C:646502 4.8 27.4 1.0
OAD C:646502 4.8 43.5 1.0
CAB C:646502 4.8 25.8 1.0
C1 C:EDO504 4.9 21.9 1.0
CD1 C:TYR211 4.9 18.1 1.0
O2 C:EDO504 4.9 19.4 1.0
CD2 C:TYR334 4.9 11.7 1.0

Chlorine binding site 8 out of 9 in 6maz

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Chlorine binding site 8 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:73.1
occ:1.00
 CLG C:646502 0.0 73.1 1.0
CAX C:646502 1.8 52.1 1.0
CAK C:646502 2.7 45.4 1.0
CBC C:646502 2.8 36.6 1.0
O C:HOH695 2.8 39.0 1.0
OAD C:646502 3.0 43.5 1.0
CB C:GLU386 3.1 28.7 1.0
SBF C:646502 3.3 37.3 1.0
CG C:GLU386 3.3 41.1 1.0
NAT C:646502 3.6 26.8 1.0
O C:HOH629 3.7 42.0 1.0
CAB C:646502 3.8 25.8 1.0
CAZ C:646502 4.0 26.9 1.0
CAW C:646502 4.1 26.1 1.0
O C:HOH723 4.1 32.5 1.0
CB C:ASP98 4.3 21.9 1.0
CA C:ASP98 4.5 19.7 1.0
CD C:GLU386 4.5 42.8 1.0
CAJ C:646502 4.5 24.4 1.0
CBB C:646502 4.6 22.5 1.0
CA C:GLU386 4.6 23.6 1.0
CAV C:646502 4.6 25.8 1.0
OE2 C:GLU386 4.7 51.7 1.0
O C:HOH603 4.7 29.7 1.0
OD2 C:ASP385 4.7 43.5 1.0
OAE C:646502 4.9 32.3 1.0
N C:GLU386 5.0 19.0 1.0

Chlorine binding site 9 out of 9 in 6maz

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Chlorine binding site 9 out of 9 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-0366 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:10.6
occ:1.00
 O C:HOH664 3.1 13.4 1.0
N C:LEU248 3.2 10.7 1.0
NH2 C:ARG358 3.2 11.2 1.0
O C:HOH845 3.3 12.4 1.0
CA C:THR247 3.6 12.1 1.0
O C:HOH936 3.8 12.9 1.0
C C:THR247 3.9 11.4 1.0
CG2 C:THR247 4.0 12.5 1.0
O C:ASP246 4.1 12.1 1.0
CB C:LEU248 4.1 12.1 1.0
CG C:LEU248 4.1 10.1 1.0
CD1 C:LEU248 4.2 12.3 1.0
CZ C:ARG358 4.2 13.0 1.0
CA C:LEU248 4.3 10.1 1.0
NH1 C:ARG358 4.3 12.1 1.0
CB C:THR247 4.3 12.8 1.0
N C:THR247 4.6 12.5 1.0
OG1 C:THR247 4.6 13.6 1.0
C C:ASP246 4.8 12.1 1.0
O C:LEU248 4.9 12.5 1.0

Reference:

A.C.Schlott, S.Mayclin, A.R.Reers, O.Coburn-Flynn, A.S.Bell, J.Green, E.Knuepfer, D.Charter, R.Bonnert, B.Campo, J.Burrows, S.Lyons-Abbott, B.L.Staker, C.W.Chung, P.J.Myler, D.A.Fidock, E.W.Tate, A.A.Holder. Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors. Cell Chem Biol V. 26 991 2019.
ISSN: ESSN 2451-9456
PubMed: 31080074
DOI: 10.1016/J.CHEMBIOL.2019.03.015
Page generated: Sat Jul 12 16:44:35 2025

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