Atomistry » Fluorine » PDB 2bcj-2dux » 2clm
Atomistry »
  Fluorine »
    PDB 2bcj-2dux »
      2clm »

Fluorine in PDB 2clm: Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F)

Enzymatic activity of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F)

All present enzymatic activity of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F):
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F), PDB code: 2clm was solved by H.Ngo, N.Kimmich, R.Harris, D.Niks, L.Blumenstein, V.Kulik, T.R.Barends, I.Schlichting, M.F.Dunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.93 / 1.51
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.510, 59.540, 67.710, 90.00, 94.84, 90.00
R / Rfree (%) 21.8 / 23.9

Other elements in 2clm:

The structure of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F) (pdb code 2clm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F), PDB code: 2clm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2clm

Go back to Fluorine Binding Sites List in 2clm
Fluorine binding site 1 out of 3 in the Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1268

b:35.4
occ:1.00
 F9 A:F6F1268 0.0 35.4 1.0
C8 A:F6F1268 1.3 35.4 1.0
F10 A:F6F1268 2.1 35.6 1.0
F11 A:F6F1268 2.1 37.7 1.0
O7 A:F6F1268 2.3 34.3 1.0
CD1 A:ILE153 2.7 30.6 1.0
C1 A:F6F1268 2.8 32.7 1.0
O B:HOH2026 3.0 27.5 1.0
C2 A:F6F1268 3.1 31.1 1.0
CZ A:PHE212 3.6 34.6 1.0
O B:HOH2058 3.6 24.1 1.0
C6 A:F6F1268 3.9 31.9 1.0
CE1 A:PHE212 4.0 34.5 1.0
CG1 A:ILE153 4.1 28.2 1.0
C3 A:F6F1268 4.3 30.4 1.0
O B:HOH2055 4.3 18.3 1.0
CE2 A:PHE212 4.6 35.6 1.0
CG2 A:ILE153 4.7 27.4 1.0
CD2 A:LEU177 4.7 32.5 1.0
C5 A:F6F1268 4.9 31.3 1.0
CB A:ALA59 4.9 34.3 1.0
CB A:ILE153 4.9 26.1 1.0
CB B:PRO18 4.9 18.1 1.0
O A:ALA129 4.9 18.1 1.0

Fluorine binding site 2 out of 3 in 2clm

Go back to Fluorine Binding Sites List in 2clm
Fluorine binding site 2 out of 3 in the Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1268

b:35.6
occ:1.00
 F10 A:F6F1268 0.0 35.6 1.0
C8 A:F6F1268 1.3 35.4 1.0
F9 A:F6F1268 2.1 35.4 1.0
F11 A:F6F1268 2.1 37.7 1.0
O7 A:F6F1268 2.3 34.3 1.0
CB B:PRO18 3.3 18.1 1.0
O A:ALA129 3.3 18.1 1.0
O B:HOH2026 3.4 27.5 1.0
C1 A:F6F1268 3.5 32.7 1.0
CB A:ALA59 3.5 34.3 1.0
CG B:PRO18 3.5 18.9 1.0
O B:HOH2058 3.7 24.1 1.0
O B:HOH2055 3.7 18.3 1.0
CD1 A:ILE153 3.9 30.6 1.0
C A:ALA129 4.0 16.5 1.0
CB A:ALA129 4.1 18.4 1.0
CA B:PRO18 4.1 16.4 1.0
CA A:ALA129 4.1 16.6 1.0
C6 A:F6F1268 4.3 31.9 1.0
C2 A:F6F1268 4.4 31.1 1.0
CA A:ALA59 4.8 34.0 1.0
CD B:PRO18 5.0 16.9 1.0

Fluorine binding site 3 out of 3 in 2clm

Go back to Fluorine Binding Sites List in 2clm
Fluorine binding site 3 out of 3 in the Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Tryptophan Synthase (External Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1- Ethylphosphate (F6F) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1268

b:37.7
occ:1.00
 F11 A:F6F1268 0.0 37.7 1.0
C8 A:F6F1268 1.3 35.4 1.0
F9 A:F6F1268 2.1 35.4 1.0
F10 A:F6F1268 2.1 35.6 1.0
O7 A:F6F1268 2.3 34.3 1.0
C1 A:F6F1268 2.8 32.7 1.0
C6 A:F6F1268 3.1 31.9 1.0
CB A:ALA59 3.1 34.3 1.0
O B:HOH2026 3.2 27.5 1.0
O A:ALA59 3.3 35.2 1.0
CZ A:PHE212 3.4 34.6 1.0
C2 A:F6F1268 3.8 31.1 1.0
CA A:ALA59 4.0 34.0 1.0
C A:ALA59 4.0 34.5 1.0
CE2 A:PHE212 4.2 35.6 1.0
C5 A:F6F1268 4.3 31.3 1.0
CE1 A:PHE212 4.3 34.5 1.0
CB B:PRO18 4.8 18.1 1.0
O B:HOH2058 4.8 24.1 1.0
C3 A:F6F1268 4.8 30.4 1.0
CD1 A:ILE153 4.8 30.6 1.0
CG B:PRO18 4.9 18.9 1.0

Reference:

H.Ngo, N.Kimmich, R.Harris, D.Niks, L.Blumenstein, V.Kulik, T.R.Barends, I.Schlichting, M.F.Dunn. Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction By Alpha- Site Ligands. Biochemistry V. 46 7740 2007.
ISSN: ISSN 0006-2960
PubMed: 17559232
DOI: 10.1021/BI7003872
Page generated: Wed Jul 31 13:58:28 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