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Calcium in PDB 5f2g: Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp

Enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp

All present enzymatic activity of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp:
4.1.2.40;

Protein crystallography data

The structure of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp, PDB code: 5f2g was solved by C.Lowkam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.73 / 1.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.712, 106.858, 238.445, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 19.6

Calcium Binding Sites:

The binding sites of Calcium atom in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp (pdb code 5f2g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp, PDB code: 5f2g:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 5f2g

Go back to Calcium Binding Sites List in 5f2g
Calcium binding site 1 out of 5 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca3002

b:53.5
occ:1.00
 O A:HOH3450 2.6 42.1 1.0
O B:HOH618 2.6 43.5 1.0
O A:HOH3115 2.6 47.5 1.0
O A:HOH3347 2.6 35.9 1.0
O A:HOH3235 2.7 45.6 1.0
O A:HOH3358 2.7 29.0 1.0
HB2 A:GLU197 3.7 28.7 1.0
O A:HOH3431 3.7 62.4 1.0
H A:GLU197 4.1 20.4 1.0
HD1 B:PHE63 4.2 37.6 1.0
HA B:PHE63 4.3 28.2 1.0
O A:HOH3228 4.4 27.6 1.0
O A:HOH3499 4.4 30.0 1.0
O A:HOH3101 4.4 61.8 1.0
O B:PRO62 4.5 27.3 1.0
CB A:GLU197 4.6 23.9 1.0
N A:GLU197 4.7 17.0 1.0
O A:HOH3412 4.7 38.7 1.0
HA A:LYS196 4.7 20.8 1.0
O A:HOH3483 4.8 34.4 1.0
O A:SER195 4.8 21.8 1.0
O B:HOH704 4.9 40.7 1.0
O B:HOH885 4.9 28.9 1.0
OD2 A:ASP242 4.9 62.1 0.5
OE1 A:GLU197 4.9 90.8 1.0
HB3 A:GLU197 5.0 28.7 1.0
HA A:GLU197 5.0 24.2 1.0

Calcium binding site 2 out of 5 in 5f2g

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Calcium binding site 2 out of 5 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca3003

b:42.5
occ:1.00
 O A:GLU238 2.3 23.5 1.0
O A:THR241 2.4 19.4 1.0
OE2 B:GLU84 2.4 42.0 1.0
OE1 B:GLU83 2.6 50.5 1.0
O A:HOH3139 2.6 49.3 1.0
OE2 A:GLU238 2.6 54.0 1.0
HA A:ASP242 3.3 30.9 0.5
O A:HOH3223 3.4 33.0 1.0
HA A:ASP242 3.4 32.2 0.5
CD A:GLU238 3.5 43.5 1.0
HG3 A:GLU238 3.5 43.2 1.0
C A:GLU238 3.5 28.2 1.0
C A:THR241 3.5 22.4 1.0
CD B:GLU84 3.6 40.3 1.0
CD B:GLU83 3.6 85.5 1.0
HA A:ALA239 3.7 28.4 1.0
HG3 B:GLU83 3.8 57.4 1.0
H A:THR241 3.8 27.2 0.6
H A:THR241 3.8 27.2 0.4
CG A:GLU238 4.0 36.0 1.0
HG2 B:GLU83 4.0 57.4 1.0
CG B:GLU83 4.0 47.8 1.0
CA A:ASP242 4.1 25.7 0.5
CA A:ASP242 4.2 26.8 0.5
HA A:GLU238 4.2 27.1 1.0
HZ1 A:LYS325 4.2 63.3 0.9
HG23 A:THR241 4.3 30.1 1.0
N A:ASP242 4.3 24.8 0.5
N A:ASP242 4.3 21.0 0.5
OE1 B:GLU84 4.3 50.0 1.0
HG3 B:GLU84 4.3 30.3 1.0
OE1 A:GLU238 4.4 41.9 1.0
N A:ALA239 4.4 23.9 1.0
CA A:GLU238 4.4 22.6 1.0
CA A:ALA239 4.4 23.7 1.0
O A:HOH3381 4.5 42.9 1.0
N A:THR241 4.5 22.7 1.0
CG B:GLU84 4.5 25.3 1.0
CA A:THR241 4.6 20.8 1.0
HE1 A:TYR245 4.6 28.9 1.0
OE2 B:GLU83 4.7 57.5 1.0
OD1 A:ASP242 4.7 35.2 0.5
HG2 A:GLU238 4.8 43.2 1.0
HB3 A:ASP242 4.8 37.3 0.5
HG22 A:THR241 4.8 30.1 1.0
HG2 B:GLU84 4.8 30.3 1.0
CB A:GLU238 4.8 23.2 1.0
C A:ALA239 4.8 22.1 1.0
HZ2 A:LYS325 4.9 63.3 0.9
CG2 A:THR241 4.9 25.1 1.0
HB2 A:ASP242 4.9 40.9 0.5
H A:SER240 5.0 24.6 0.6
NZ A:LYS325 5.0 52.7 0.9
H A:SER240 5.0 26.3 0.4

Calcium binding site 3 out of 5 in 5f2g

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Calcium binding site 3 out of 5 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca402

b:62.9
occ:0.78
 O B:GLN40 2.6 81.9 1.0
O B:ALA37 2.8 80.8 1.0
O B:HOH603 2.8 68.3 1.0
O B:HOH507 2.9 42.5 1.0
HA B:THR41 3.1 93.1 1.0
O B:THR41 3.4 75.0 1.0
C B:GLN40 3.7 78.7 1.0
HB1 B:ALA37 3.8 84.3 1.0
CA B:THR41 3.8 77.6 1.0
C B:THR41 3.8 74.8 1.0
C B:ALA37 3.9 71.5 1.0
N B:THR41 4.2 75.7 1.0
HA B:ALA37 4.3 81.4 1.0
H B:GLN40 4.3 86.2 1.0
CA B:ALA37 4.5 67.8 1.0
O B:HOH888 4.5 54.6 1.0
CB B:ALA37 4.6 70.2 1.0
O B:LYS42 4.7 70.8 1.0
HG3 B:GLN40 4.8 79.0 1.0
HA B:GLN38 4.8 0.1 1.0
N B:LYS42 4.9 73.0 1.0
CA B:GLN40 5.0 72.4 1.0
N B:GLN40 5.0 71.8 1.0

Calcium binding site 4 out of 5 in 5f2g

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Calcium binding site 4 out of 5 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca403

b:49.5
occ:1.00
 O B:GLU238 2.4 24.3 1.0
O B:THR241 2.4 19.1 1.0
OE2 B:GLU238 2.7 47.8 1.0
O B:HOH633 3.1 36.8 1.0
HA B:ASP242 3.3 31.4 0.5
HA B:ASP242 3.4 32.9 0.6
CD B:GLU238 3.5 39.2 1.0
HG3 B:GLU238 3.6 35.4 1.0
C B:GLU238 3.6 23.8 1.0
C B:THR241 3.6 24.0 1.0
HA B:ALA239 3.8 24.5 1.0
H B:THR241 3.9 26.8 0.6
H B:THR241 3.9 26.8 0.4
CG B:GLU238 4.1 29.5 1.0
HG23 B:THR241 4.2 30.3 1.0
CA B:ASP242 4.2 26.1 0.5
HA B:GLU238 4.3 25.2 1.0
CA B:ASP242 4.3 27.4 0.6
HE3 B:LYS325 4.3 96.6 0.9
HE2 B:LYS325 4.3 96.6 0.9
N B:ASP242 4.3 24.4 0.5
N B:ASP242 4.4 21.7 0.6
OE1 B:GLU238 4.4 38.1 1.0
CA B:GLU238 4.5 21.0 1.0
N B:ALA239 4.5 21.6 1.0
CA B:ALA239 4.5 20.4 1.0
N B:THR241 4.6 22.3 1.0
HZ1 B:LYS325 4.6 52.6 0.9
HE1 B:TYR245 4.7 28.6 1.0
CA B:THR241 4.7 23.2 1.0
HG22 B:THR241 4.7 30.3 1.0
CE B:LYS325 4.7 80.5 0.9
HG2 B:GLU238 4.8 35.4 1.0
HB3 B:ASP242 4.9 46.4 0.6
CG2 B:THR241 4.9 25.2 1.0
CB B:GLU238 4.9 19.8 1.0
C B:ALA239 4.9 19.8 1.0
OD1 B:ASP242 5.0 63.1 0.5
CG B:ASP242 5.0 58.4 0.5

Calcium binding site 5 out of 5 in 5f2g

Go back to Calcium Binding Sites List in 5f2g
Calcium binding site 5 out of 5 in the Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Tagatose-1,6-Bisphosphate Aldolase From Streptococcus Pyogenes GLU164GLN Mutant in Complex with Fbp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca404

b:62.5
occ:0.75
 O C:HOH674 2.5 41.6 1.0
O B:HOH644 2.5 40.6 1.0
O B:HOH846 2.6 56.6 1.0
O B:HOH793 2.8 0.8 1.0
O B:HOH902 3.0 56.9 1.0
O A:HOH3525 3.2 63.5 1.0
O B:HOH691 3.7 53.3 1.0
O B:HOH860 4.0 70.8 1.0
HA B:LYS317 4.2 25.9 1.0
O B:ALA319 4.4 22.4 1.0
O B:HOH760 4.5 64.0 1.0
O B:LYS317 4.5 26.1 1.0
O B:ASP316 4.6 38.7 1.0
C B:LYS317 4.6 21.1 1.0
O B:HOH636 4.8 79.0 1.0
O C:HOH415 4.8 33.7 1.0
CA B:LYS317 4.9 21.6 1.0
O C:HOH662 4.9 35.2 1.0

Reference:

C.Lowkam, B.Liotard, J.Sygusch. Non-Stereospecific Substrate Cleavage By Tagatose-Bisphosphate Class I Aldolase To Be Published.
Page generated: Sun Jul 14 19:02:30 2024

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