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: Sat Dec 12 11:43:05 2020

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