Atomistry » Chlorine » PDB 5f03-5f6q » 5f4w
Atomistry »
  Chlorine »
    PDB 5f03-5f6q »
      5f4w »

Chlorine in PDB 5f4w: Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp

Enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp

All present enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp:
4.1.2.40;

Protein crystallography data

The structure of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp, PDB code: 5f4w was solved by C.Lowkam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.88 / 1.66
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.955, 107.373, 237.730, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.6

Other elements in 5f4w:

The structure of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp (pdb code 5f4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp, PDB code: 5f4w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5f4w

Go back to Chlorine Binding Sites List in 5f4w
Chlorine binding site 1 out of 4 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3002

b:43.1
occ:0.48
 O61 A:P6T3001 1.3 43.8 0.6
H A:ARG29 1.8 51.3 1.0
H A:ALA31 1.9 70.9 1.0
H A:GLY30 2.2 68.5 1.0
HG1 A:THR94 2.4 49.4 1.0
P6 A:P6T3001 2.4 40.2 0.6
N A:GLY30 2.5 57.1 1.0
N A:ARG29 2.6 42.8 1.0
N A:ALA31 2.7 59.1 1.0
O62 A:P6T3001 2.7 38.2 0.6
OG1 A:THR94 2.8 41.2 1.0
O A:HOH3332 3.0 38.2 0.4
C A:ARG29 3.1 48.2 1.0
HB2 A:ARG29 3.1 51.4 1.0
CA A:ARG29 3.2 44.9 1.0
CA A:GLY30 3.3 58.5 1.0
HB3 A:ALA31 3.3 64.2 1.0
HA3 A:GLY30 3.3 70.2 1.0
O63 A:P6T3001 3.4 41.9 0.6
C A:GLY30 3.4 57.1 1.0
O6 A:P6T3001 3.5 38.9 0.6
HB2 A:ALA31 3.6 64.2 1.0
C A:GLN28 3.7 39.5 1.0
CB A:ARG29 3.7 42.8 1.0
H A:LEU32 3.7 62.5 1.0
CB A:ALA31 3.7 53.5 1.0
CA A:ALA31 3.8 57.7 1.0
CA A:GLN28 3.9 37.6 1.0
O A:ARG29 4.0 49.1 1.0
O A:HOH3226 4.0 65.2 1.0
HA A:ARG29 4.1 53.9 1.0
CB A:THR94 4.1 38.2 1.0
HA2 A:GLY30 4.2 70.2 1.0
HB3 A:ARG29 4.2 51.4 1.0
HB A:THR94 4.3 45.9 1.0
O A:HOH3101 4.3 0.1 1.0
CB A:GLN28 4.4 38.1 1.0
N A:LEU32 4.4 52.1 1.0
HA A:ALA31 4.5 69.3 1.0
HG21 A:THR94 4.6 46.8 1.0
HE A:ARG29 4.6 47.1 1.0
C A:ALA31 4.6 58.3 1.0
O A:GLY30 4.7 58.0 1.0
HB1 A:ALA31 4.7 64.2 1.0
HH22 A:ARG34 4.7 88.5 1.0
C6 A:P6T3001 4.8 35.6 0.6
O A:GLN28 4.8 38.7 1.0
HG3 A:ARG29 4.8 49.8 1.0
CG A:ARG29 4.8 41.5 1.0
CG A:GLN28 4.8 37.9 1.0
O A:HOH3103 4.8 69.7 1.0
CG2 A:THR94 4.9 39.0 1.0
HA A:THR94 5.0 43.1 1.0
O A:ASP27 5.0 34.1 1.0

Chlorine binding site 2 out of 4 in 5f4w

Go back to Chlorine Binding Sites List in 5f4w
Chlorine binding site 2 out of 4 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:52.5
occ:1.00
 H B:ARG29 2.3 53.1 1.0
H B:ALA31 2.5 63.2 1.0
HG21 B:THR94 3.1 47.4 1.0
N B:ARG29 3.1 44.2 1.0
HA B:GLN28 3.2 54.0 1.0
HB3 B:ALA31 3.2 62.4 1.0
HB2 B:ALA31 3.3 62.4 1.0
H B:GLY30 3.3 62.7 1.0
N B:ALA31 3.4 52.7 1.0
N B:GLY30 3.6 52.3 1.0
CB B:ALA31 3.6 52.0 1.0
HB2 B:ARG29 3.7 53.2 1.0
HB B:THR94 3.7 48.7 1.0
CG2 B:THR94 3.8 39.5 1.0
HG22 B:THR94 3.9 47.4 1.0
CA B:GLN28 3.9 45.0 1.0
HG3 B:GLN28 3.9 57.9 1.0
CA B:ARG29 4.0 45.8 1.0
C B:GLN28 4.0 45.2 1.0
C B:ARG29 4.0 50.2 1.0
HB3 B:GLN28 4.0 55.2 1.0
CA B:ALA31 4.1 52.8 1.0
HH22 B:ARG34 4.2 86.0 1.0
HG1 B:THR94 4.2 52.2 1.0
CB B:THR94 4.2 40.6 1.0
HA3 B:GLY30 4.3 65.6 1.0
CA B:GLY30 4.3 54.7 1.0
CB B:ARG29 4.3 44.3 1.0
C B:GLY30 4.3 54.9 1.0
O B:HOH604 4.4 43.8 1.0
CB B:GLN28 4.4 46.0 1.0
H B:LEU32 4.5 64.7 1.0
HB1 B:ALA31 4.5 62.4 1.0
CG B:GLN28 4.6 48.2 1.0
HG23 B:THR94 4.6 47.4 1.0
O B:HOH536 4.6 48.7 1.0
OG1 B:THR94 4.7 43.5 1.0
HA B:ALA31 4.8 63.3 1.0
HE B:ARG29 4.8 44.6 1.0
NH2 B:ARG34 4.8 71.7 1.0
HG2 B:GLN28 4.9 57.9 1.0
HA B:ARG29 4.9 54.9 1.0
O B:ARG29 4.9 52.4 1.0
HB3 B:ARG29 5.0 53.2 1.0
O B:ASP27 5.0 41.3 1.0
HH21 B:ARG34 5.0 86.0 1.0

Chlorine binding site 3 out of 4 in 5f4w

Go back to Chlorine Binding Sites List in 5f4w
Chlorine binding site 3 out of 4 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:42.3
occ:1.00
 H C:ARG29 2.2 35.6 1.0
H C:ALA31 2.5 42.5 1.0
N C:ARG29 3.0 29.7 1.0
HG21 C:THR94 3.0 38.7 1.0
HA C:GLN28 3.1 39.5 1.0
HB3 C:ALA31 3.2 43.1 1.0
H C:GLY30 3.3 43.3 1.0
HB2 C:ALA31 3.3 43.1 1.0
N C:ALA31 3.4 35.4 1.0
HB2 C:ARG29 3.4 36.9 1.0
N C:GLY30 3.6 36.0 1.0
O C:HOH753 3.6 44.2 1.0
HB C:THR94 3.6 40.2 1.0
CB C:ALA31 3.7 35.9 1.0
CG2 C:THR94 3.8 32.2 1.0
HG22 C:THR94 3.8 38.7 1.0
CA C:ARG29 3.8 30.4 1.0
CA C:GLN28 3.9 32.9 1.0
C C:ARG29 3.9 32.6 1.0
C C:GLN28 3.9 33.0 1.0
HB3 C:GLN28 4.0 42.5 1.0
HG3 C:GLN28 4.0 43.9 1.0
CB C:ARG29 4.1 30.7 1.0
CA C:ALA31 4.1 37.5 1.0
CB C:THR94 4.2 33.5 1.0
HG1 C:THR94 4.2 42.2 1.0
HH22 C:ARG34 4.3 60.9 1.0
HA3 C:GLY30 4.3 46.2 1.0
CA C:GLY30 4.3 38.5 1.0
C C:GLY30 4.3 41.4 1.0
CB C:GLN28 4.4 35.5 1.0
H C:LEU32 4.4 43.5 1.0
O C:HOH571 4.5 36.3 1.0
HB1 C:ALA31 4.5 43.1 1.0
HG23 C:THR94 4.6 38.7 1.0
O C:HOH650 4.6 44.3 1.0
HE C:ARG29 4.6 36.4 1.0
CG C:GLN28 4.7 36.6 1.0
OG1 C:THR94 4.7 35.2 1.0
HB3 C:ARG29 4.7 36.9 1.0
O C:ARG29 4.7 34.1 1.0
HA C:ARG29 4.7 36.5 1.0
HA C:ALA31 4.8 44.9 1.0
NH2 C:ARG34 4.9 50.7 1.0
HG2 C:GLN28 4.9 43.9 1.0
O C:HOH889 5.0 63.5 1.0
O C:ASP27 5.0 30.5 1.0

Chlorine binding site 4 out of 4 in 5f4w

Go back to Chlorine Binding Sites List in 5f4w
Chlorine binding site 4 out of 4 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes in Complex with Tbp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:45.8
occ:1.00
 H D:ARG29 2.4 47.1 1.0
H D:ALA31 2.4 56.9 1.0
O D:HOH631 2.9 63.4 1.0
H D:GLY30 3.1 52.2 1.0
HG21 D:THR94 3.1 38.3 1.0
HB2 D:ALA31 3.2 56.5 1.0
HA D:GLN28 3.2 49.6 1.0
N D:ARG29 3.2 39.2 1.0
HB3 D:ALA31 3.2 56.5 1.0
N D:ALA31 3.3 47.4 1.0
O D:HOH713 3.4 50.0 1.0
N D:GLY30 3.5 43.5 1.0
HB2 D:ARG29 3.6 47.8 1.0
CB D:ALA31 3.6 47.1 1.0
HB D:THR94 3.6 37.3 1.0
CG2 D:THR94 3.8 31.9 1.0
HG22 D:THR94 3.8 38.3 1.0
HG3 D:GLN28 4.0 51.2 1.0
CA D:GLN28 4.0 41.3 1.0
C D:ARG29 4.0 41.4 1.0
CA D:ARG29 4.0 39.4 1.0
CA D:ALA31 4.1 46.8 1.0
HB3 D:GLN28 4.1 48.9 1.0
C D:GLN28 4.1 43.9 1.0
HH22 D:ARG34 4.2 68.6 1.0
HA3 D:GLY30 4.2 55.1 1.0
CA D:GLY30 4.2 46.0 1.0
CB D:THR94 4.2 31.1 1.0
C D:GLY30 4.2 46.3 1.0
HG1 D:THR94 4.3 38.7 1.0
CB D:ARG29 4.3 39.9 1.0
O D:HOH622 4.4 36.9 1.0
CB D:GLN28 4.4 40.8 1.0
H D:LEU32 4.5 53.6 1.0
HB1 D:ALA31 4.5 56.5 1.0
CG D:GLN28 4.6 42.7 1.0
HG23 D:THR94 4.7 38.3 1.0
HA D:ALA31 4.7 56.2 1.0
HE D:ARG29 4.7 46.8 1.0
NH2 D:ARG34 4.7 57.2 1.0
HH21 D:ARG34 4.7 68.6 1.0
O D:HOH548 4.7 54.2 1.0
OG1 D:THR94 4.7 32.2 1.0
HG2 D:GLN28 4.8 51.2 1.0
HB3 D:ARG29 4.8 47.8 1.0
O D:ARG29 4.9 41.6 1.0
HA D:ARG29 4.9 47.3 1.0

Reference:

C.Lowkam, B.Liotard, J.Sygusch. Non-Stereospecific Substrate Cleavage By Tagatose-Bisphosphate Class I Aldolase To Be Published.
Page generated: Fri Jul 26 07:40:10 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy