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Chlorine in PDB 9mdt: Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)

Enzymatic activity of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)

All present enzymatic activity of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex):
2.7.1.90;

Protein crystallography data

The structure of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex), PDB code: 9mdt was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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) 48.74 / 2.16
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 87.109, 87.109, 478.237, 90, 90, 90
R / Rfree (%) 20.2 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) (pdb code 9mdt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex), PDB code: 9mdt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 9mdt

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Chlorine binding site 1 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:72.7
occ:1.00
 NH2 A:ARG179 3.3 64.6 1.0
NH1 A:ARG300 3.4 58.4 1.0
NH1 D:ARG311 3.7 47.6 1.0
NE D:ARG83 3.7 79.8 1.0
NH2 D:ARG311 3.7 44.8 1.0
NH2 A:ARG300 3.8 52.4 1.0
NH2 D:ARG83 3.9 72.8 1.0
CA D:GLY15 3.9 57.3 1.0
CZ A:ARG300 4.0 62.0 1.0
CZ D:ARG311 4.2 48.2 1.0
CZ D:ARG83 4.3 79.5 1.0
CB A:ALA177 4.3 40.7 1.0
N D:GLY15 4.4 58.9 1.0
CZ A:ARG179 4.6 52.4 1.0
CD D:ARG83 4.7 77.2 1.0
CD D:PRO16 4.9 47.4 1.0
C D:GLY14 5.0 61.3 1.0

Chlorine binding site 2 out of 7 in 9mdt

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Chlorine binding site 2 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:68.7
occ:1.00
 N A:ASP372 3.3 48.3 1.0
CB A:ASP372 3.9 50.2 1.0
CA A:VAL371 4.0 49.5 1.0
CA A:ASP372 4.1 48.4 1.0
C A:VAL371 4.2 47.0 1.0
CG1 A:VAL371 4.2 41.9 1.0
O A:ASP372 4.3 50.4 1.0
CE1 A:HIS192 4.4 48.8 1.0
OG A:SER375 4.5 49.5 1.0
C A:ASP372 4.6 50.7 1.0
O A:LEU370 4.7 50.7 1.0
CB A:VAL371 4.7 46.6 1.0
ND1 A:HIS192 4.7 45.7 1.0

Chlorine binding site 3 out of 7 in 9mdt

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Chlorine binding site 3 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:65.1
occ:1.00
 NH2 B:ARG179 3.1 68.1 1.0
NH2 B:ARG300 3.3 64.1 1.0
NH1 B:ARG300 3.4 71.0 1.0
O B:HOH632 3.5 62.5 1.0
NH1 C:ARG311 3.5 44.6 1.0
NH2 C:ARG311 3.6 47.4 1.0
CZ B:ARG300 3.8 66.7 1.0
CZ C:ARG311 4.0 48.0 1.0
CA C:GLY15 4.1 57.0 1.0
CB B:ALA177 4.1 38.2 1.0
NE C:ARG83 4.4 83.4 1.0
CZ B:ARG179 4.4 59.0 1.0
N C:GLY15 4.6 55.4 1.0
CD C:PRO16 4.8 47.3 1.0
NH2 C:ARG83 4.8 79.8 1.0

Chlorine binding site 4 out of 7 in 9mdt

Go back to Chlorine Binding Sites List in 9mdt
Chlorine binding site 4 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:60.3
occ:1.00
 NH2 C:ARG179 3.2 66.8 1.0
NH1 C:ARG300 3.4 64.8 1.0
NH1 B:ARG311 3.4 49.9 1.0
NH2 B:ARG311 3.5 47.1 1.0
NH2 C:ARG300 3.8 56.6 1.0
CZ B:ARG311 3.9 46.3 1.0
NE B:ARG83 4.0 65.9 1.0
CZ C:ARG300 4.1 57.3 1.0
NH2 B:ARG83 4.1 70.2 1.0
CA B:GLY15 4.2 53.2 1.0
CB C:ALA177 4.3 36.8 1.0
CZ C:ARG179 4.4 55.1 1.0
CZ B:ARG83 4.5 77.0 1.0
CD B:PRO16 4.7 45.5 1.0
N B:GLY15 4.8 53.7 1.0

Chlorine binding site 5 out of 7 in 9mdt

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Chlorine binding site 5 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:92.4
occ:1.00
 O B:HOH640 2.9 70.2 1.0
O12 B:PPV503 3.0 85.2 1.0
NH2 B:ARG83 3.6 70.2 1.0
NH1 B:ARG83 3.7 67.7 1.0
CZ B:ARG83 4.0 77.0 1.0
O32 B:PPV503 4.0 74.9 1.0
P2 B:PPV503 4.1 82.6 1.0
OPP B:PPV503 4.9 77.4 1.0

Chlorine binding site 6 out of 7 in 9mdt

Go back to Chlorine Binding Sites List in 9mdt
Chlorine binding site 6 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:75.0
occ:1.00
 NH2 D:ARG179 3.1 67.0 1.0
NH2 D:ARG300 3.4 74.5 1.0
NH1 D:ARG300 3.4 72.8 1.0
NH1 A:ARG311 3.6 47.9 1.0
NH2 A:ARG311 3.7 49.0 1.0
CZ D:ARG300 3.9 73.3 1.0
NE A:ARG83 3.9 88.2 1.0
CZ A:ARG311 4.1 55.3 1.0
CA A:GLY15 4.3 48.6 1.0
CB D:ALA177 4.4 48.8 1.0
CZ D:ARG179 4.4 60.9 1.0
NH2 A:ARG83 4.5 79.6 1.0
CZ A:ARG83 4.6 89.0 1.0
CD A:ARG83 4.7 77.9 1.0
N A:GLY15 4.8 59.7 1.0
CD A:PRO16 4.9 45.4 1.0
CG A:ARG83 4.9 77.6 1.0

Chlorine binding site 7 out of 7 in 9mdt

Go back to Chlorine Binding Sites List in 9mdt
Chlorine binding site 7 out of 7 in the Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1- Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl505

b:59.4
occ:1.00
 N D:TYR308 3.4 37.0 1.0
N D:GLY307 3.5 46.3 1.0
CD2 D:TYR308 3.6 45.0 1.0
NZ A:LYS304 3.6 51.2 1.0
CA D:GLY307 3.7 46.1 1.0
CD A:LYS304 3.8 48.9 1.0
OE1 D:GLU309 4.0 38.3 1.0
C D:GLY307 4.1 43.7 1.0
CB D:LYS305 4.2 44.9 1.0
CE A:LYS304 4.2 55.5 1.0
C D:ILE306 4.2 46.3 1.0
CB D:TYR308 4.3 39.0 1.0
CG D:TYR308 4.4 44.1 1.0
CE2 D:TYR308 4.4 45.0 1.0
CA D:TYR308 4.4 39.0 1.0
C D:LYS305 4.5 43.9 1.0
O D:LYS305 4.6 45.6 1.0
N D:ILE306 4.7 46.0 1.0
CA D:ILE306 4.7 44.8 1.0
CE D:LYS305 4.8 72.9 1.0
O D:ILE306 5.0 42.3 1.0
CD D:LYS305 5.0 57.8 1.0

Reference:

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure Pyrophosphate-Fructose 6-Phosphate 1-Phosphotransferase 1 (PFK1) From Trichomonas Vaginalis (Atp/Pyrophosphate Complex) To Be Published.
Page generated: Sat Feb 8 17:35:30 2025

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