Chlorine in PDB 8e0z: Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations

Enzymatic activity of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations

All present enzymatic activity of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations:
2.5.1.54;

Protein crystallography data

The structure of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations, PDB code: 8e0z was solved by P.J.Berti, M.S.Junop, R.Grainger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.37 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 210.719, 53.13, 150.2, 90, 115.46, 90
R / Rfree (%) 17.9 / 21.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations (pdb code 8e0z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations, PDB code: 8e0z:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8e0z

Go back to Chlorine Binding Sites List in 8e0z
Chlorine binding site 1 out of 4 in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:26.4
occ:1.00
 O A:HOH716 3.0 14.3 1.0
NE2 A:HIS304 3.2 7.9 1.0
N A:ASP65 3.2 10.2 1.0
N A:HIS64 3.3 9.2 1.0
O A:ASP65 3.6 10.6 1.0
CE1 A:HIS304 3.7 9.3 1.0
ND1 A:HIS64 3.8 13.4 1.0
CA A:ASP65 4.0 8.5 1.0
CA A:ILE63 4.0 9.1 1.0
CE1 A:HIS64 4.0 14.1 1.0
C A:HIS64 4.1 12.9 1.0
CB A:ASP65 4.1 8.5 1.0
CA A:HIS64 4.1 11.9 1.0
CG A:HIS64 4.2 11.5 1.0
C A:ILE63 4.2 11.9 1.0
C A:ASP65 4.2 8.4 1.0
CG2 A:ILE63 4.2 8.1 1.0
CB A:ALA68 4.3 9.8 1.0
CD2 A:HIS304 4.4 7.5 1.0
N A:ALA69 4.5 3.5 1.0
O A:SER62 4.5 9.4 1.0
NE2 A:HIS64 4.5 12.0 1.0
CD1 A:ILE63 4.6 7.7 1.0
CD2 A:HIS64 4.6 11.2 1.0
CB A:HIS64 4.7 9.5 1.0
O A:HOH523 4.7 12.2 1.0
CB A:ILE63 4.7 13.5 1.0
CB A:ALA69 4.8 6.4 1.0
O A:HOH584 4.9 13.2 1.0
CA A:ALA69 4.9 5.1 1.0
ND1 A:HIS304 5.0 6.4 1.0

Chlorine binding site 2 out of 4 in 8e0z

Go back to Chlorine Binding Sites List in 8e0z
Chlorine binding site 2 out of 4 in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:46.1
occ:1.00
 NE2 B:HIS304 3.2 33.9 1.0
N B:ASP65 3.2 39.5 1.0
N B:HIS64 3.3 37.1 1.0
O B:HOH571 3.4 39.5 1.0
O B:ASP65 3.5 32.0 1.0
CE1 B:HIS304 3.8 32.5 1.0
CD2 B:HIS64 3.8 49.3 1.0
CA B:ASP65 4.0 34.9 1.0
CA B:ILE63 4.1 31.4 1.0
C B:ASP65 4.1 31.1 1.0
C B:HIS64 4.1 40.5 1.0
CA B:HIS64 4.1 41.9 1.0
CB B:ASP65 4.1 39.8 1.0
C B:ILE63 4.2 37.0 1.0
N B:ALA69 4.3 28.0 1.0
CG B:HIS64 4.3 46.3 1.0
CD2 B:HIS304 4.3 31.0 1.0
O B:SER62 4.3 39.4 1.0
CB B:ALA68 4.4 31.5 1.0
CG2 B:ILE63 4.5 28.2 1.0
CB B:HIS64 4.5 46.4 1.0
CB B:ALA69 4.6 26.3 1.0
NE2 B:HIS64 4.6 57.1 1.0
CA B:ALA69 4.7 27.8 1.0
CD1 B:ILE63 4.7 28.1 1.0
C B:ALA68 4.8 27.7 1.0
CG B:PRO60 4.8 28.1 1.0
CB B:ILE63 4.9 29.8 1.0
CB B:PRO60 4.9 25.8 1.0

Chlorine binding site 3 out of 4 in 8e0z

Go back to Chlorine Binding Sites List in 8e0z
Chlorine binding site 3 out of 4 in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:30.2
occ:1.00
 O C:HOH598 3.0 20.6 1.0
NE2 C:HIS304 3.3 16.5 1.0
N C:ASP65 3.3 19.4 1.0
N C:HIS64 3.3 19.7 1.0
ND1 C:HIS64 3.5 21.5 1.0
O C:ASP65 3.6 15.7 1.0
CE1 C:HIS64 3.8 20.1 1.0
CE1 C:HIS304 3.8 13.6 1.0
CA C:ILE63 3.9 15.4 1.0
CG2 C:ILE63 4.0 10.8 1.0
CA C:ASP65 4.0 15.1 1.0
CB C:ASP65 4.0 15.4 1.0
C C:ILE63 4.1 16.8 1.0
CG C:HIS64 4.1 20.7 1.0
C C:HIS64 4.2 14.9 1.0
C C:ASP65 4.2 13.5 1.0
CA C:HIS64 4.2 18.6 1.0
CB C:ALA68 4.2 13.0 1.0
O C:SER62 4.4 26.4 1.0
NE2 C:HIS64 4.4 19.4 1.0
CD1 C:ILE63 4.5 11.1 1.0
CB C:ILE63 4.5 12.7 1.0
CD2 C:HIS304 4.5 13.9 1.0
N C:ALA69 4.5 14.5 1.0
CD2 C:HIS64 4.6 17.6 1.0
CB C:HIS64 4.7 18.8 1.0
CB C:ALA69 4.9 11.3 1.0
N C:ILE63 5.0 16.6 1.0

Chlorine binding site 4 out of 4 in 8e0z

Go back to Chlorine Binding Sites List in 8e0z
Chlorine binding site 4 out of 4 in the Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dahp (3-Deoxy-D-Arabinoheptulosonate-7-Phosphate) Synthase Unbound:(Bound)2:Unbound Conformations within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:36.8
occ:1.00
 N D:HIS64 3.1 31.1 1.0
N D:ASP65 3.1 26.4 1.0
O D:HOH553 3.1 35.3 1.0
CD2 D:HIS64 3.3 40.3 1.0
NE2 D:HIS304 3.4 34.6 1.0
NE2 D:HIS64 3.6 43.5 1.0
CG D:HIS64 3.6 36.3 1.0
O D:ASP65 3.8 29.9 1.0
CB D:ASP65 3.8 27.1 1.0
CA D:ASP65 3.9 22.9 1.0
C D:HIS64 3.9 25.4 1.0
CA D:ILE63 3.9 31.9 1.0
CA D:HIS64 3.9 31.7 1.0
CE1 D:HIS304 3.9 31.0 1.0
C D:ILE63 4.0 34.8 1.0
CE1 D:HIS64 4.1 41.3 1.0
ND1 D:HIS64 4.2 37.9 1.0
C D:ASP65 4.2 26.7 1.0
CG2 D:ILE63 4.2 23.6 1.0
O D:SER62 4.3 35.1 1.0
CB D:HIS64 4.3 29.8 1.0
CD2 D:HIS304 4.6 29.5 1.0
CB D:ALA68 4.6 25.8 1.0
CB D:ILE63 4.7 24.7 1.0
CD1 D:ILE63 4.8 29.1 1.0
N D:ILE63 5.0 32.1 1.0
N D:ALA69 5.0 30.6 1.0

Reference:

N.Balachandran, R.A.Grainger, T.Rob, P.Liuni, D.J.Wilson, M.S.Junop, P.J.Berti. Role of Half-of-Sites Reactivity and Inter-Subunit Communications in Dahp Synthase Catalysis and Regulation. Biochemistry V. 61 2229 2022.
ISSN: ISSN 0006-2960
PubMed: 36197914
DOI: 10.1021/ACS.BIOCHEM.2C00465
Page generated: Tue Jul 30 08:55:54 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