Atomistry » Chlorine » PDB 6m7z-6miy » 6maz
Atomistry »
  Chlorine »
    PDB 6m7z-6miy »
      6maz »

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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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

Go back to Chlorine Binding Sites List in 6maz
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: Sun Jul 28 03:07:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy