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Magnesium in PDB 4ttg: Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.

Enzymatic activity of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.

All present enzymatic activity of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.:
3.2.1.23;

Protein crystallography data

The structure of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride., PDB code: 4ttg was solved by D.H.Juers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.81 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 149.290, 168.100, 200.310, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 18.8

Other elements in 4ttg:

The structure of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. also contains other interesting chemical elements:

Potassium (K) 16 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Magnesium atom in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. (pdb code 4ttg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 14 binding sites of Magnesium where determined in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride., PDB code: 4ttg:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 14 in 4ttg

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Magnesium binding site 1 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3001

b:8.6
occ:0.84
 O A:HOH3287 2.0 8.8 1.0
OE1 A:GLU461 2.0 11.1 1.0
OE2 A:GLU416 2.1 9.0 1.0
O A:HOH3365 2.1 8.2 1.0
O A:HOH3223 2.1 10.3 1.0
ND1 A:HIS418 2.3 10.3 1.0
CD A:GLU461 3.1 10.2 1.0
CE1 A:HIS418 3.2 10.3 1.0
CD A:GLU416 3.2 8.2 1.0
CG A:HIS418 3.3 9.7 1.0
OE1 A:GLU416 3.6 8.7 1.0
CB A:HIS418 3.7 8.6 1.0
OE2 A:GLU461 3.9 11.2 1.0
CB A:GLU461 4.0 7.8 1.0
ND2 A:ASN102 4.0 10.8 1.0
CB A:ASP201 4.1 9.2 1.0
O A:HOH3747 4.1 25.2 1.0
CG A:GLU461 4.1 8.2 1.0
O A:HOH3211 4.2 12.1 1.0
N A:ASP201 4.2 9.2 1.0
ND2 A:ASN460 4.2 8.4 1.0
O A:ASP199 4.3 9.6 1.0
NE2 A:HIS418 4.4 10.2 1.0
CG A:GLU416 4.4 7.0 1.0
CD2 A:HIS418 4.5 10.5 1.0
O A:HOH3504 4.5 16.5 1.0
O A:ASN102 4.8 11.9 1.0
CA A:ASP201 4.8 8.8 1.0
CA A:GLN200 4.9 7.9 1.0
C A:GLN200 4.9 8.9 1.0

Magnesium binding site 2 out of 14 in 4ttg

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Magnesium binding site 2 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3002

b:10.3
occ:0.88
 O A:ASP15 2.3 12.1 1.0
O A:VAL21 2.3 12.9 1.0
OD2 A:ASP193 2.3 12.2 1.0
NE2 A:GLN163 2.4 9.0 1.0
O A:ASN18 2.4 13.0 1.0
OD1 A:ASP193 3.0 11.0 1.0
CG A:ASP193 3.0 12.2 1.0
CD A:GLN163 3.3 11.7 1.0
C A:ASN18 3.3 13.5 1.0
C A:ASP15 3.5 12.6 1.0
OE1 A:GLN163 3.5 15.2 1.0
C A:VAL21 3.5 11.8 1.0
N A:ASN18 3.7 15.6 1.0
CA A:ASN18 4.0 15.1 1.0
CA A:TRP16 4.0 11.4 1.0
OH A:TYR161 4.0 10.5 1.0
N A:TRP16 4.2 12.3 1.0
N A:PRO19 4.2 14.2 1.0
CA A:VAL21 4.2 13.4 1.0
N A:VAL21 4.3 12.1 1.0
CB A:ASN18 4.3 16.2 1.0
C A:TRP16 4.3 11.9 1.0
CE2 A:TYR161 4.3 10.0 1.0
CB A:VAL21 4.3 13.8 1.0
CA A:PRO19 4.4 15.0 1.0
CB A:ASP193 4.5 10.2 1.0
N A:GLU17 4.5 12.0 1.0
N A:THR22 4.5 11.5 1.0
CG A:GLN163 4.5 12.1 1.0
CA A:ASP15 4.6 12.9 1.0
CA A:THR22 4.6 12.3 1.0
CZ A:TYR161 4.7 10.1 1.0
CG1 A:VAL21 4.8 15.7 1.0
O A:TRP16 4.9 12.1 1.0
C A:PRO19 4.9 15.6 1.0
C A:GLU17 4.9 13.9 1.0
CB A:ASP15 5.0 13.6 1.0

Magnesium binding site 3 out of 14 in 4ttg

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Magnesium binding site 3 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3003

b:28.8
occ:0.51
 O A:HOH3474 2.1 19.7 1.0
O A:HOH3867 2.2 29.1 1.0
O A:HOH3644 2.3 36.1 1.0
OE1 A:GLN718 2.4 22.9 1.0
O A:HOH3811 2.4 25.6 1.0
O A:HOH3585 2.6 27.2 1.0
CD A:GLN718 3.3 18.4 1.0
NE2 A:GLN718 3.5 16.3 1.0
O A:DMS3028 3.8 49.3 0.9
O A:THR911 3.9 10.2 1.0
NE2 A:HIS622 3.9 9.1 1.0
O A:HOH3986 4.0 19.4 1.0
O A:HOH3490 4.3 23.8 1.0
O A:HOH3627 4.4 20.9 1.0
K A:K3008 4.5 14.7 0.6
O A:GLN719 4.6 12.4 1.0
CE1 A:HIS622 4.6 9.3 1.0
N A:GLN719 4.6 9.8 1.0
O A:HOH3289 4.6 14.1 1.0
CG A:GLN718 4.7 13.7 1.0
C A:THR911 4.8 8.5 1.0
CB A:THR911 5.0 7.9 1.0
S A:DMS3028 5.0 47.3 0.9

Magnesium binding site 4 out of 14 in 4ttg

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Magnesium binding site 4 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3004

b:14.3
occ:0.67
 O A:HOH3205 1.9 27.0 1.0
O A:HOH3133 1.9 25.2 1.0
O A:HOH3112 2.1 20.6 1.0
C2 A:DMS3015 3.2 29.2 0.8
OE2 A:GLU314 4.2 14.6 1.0
OE1 A:GLU314 4.2 12.0 1.0
O A:HOH3877 4.2 17.4 1.0
O A:HOH3203 4.3 36.1 1.0
O A:HOH4059 4.4 15.5 1.0
O A:HOH4215 4.5 25.2 1.0
S A:DMS3015 4.5 48.0 0.8
CD A:GLU314 4.6 11.9 1.0

Magnesium binding site 5 out of 14 in 4ttg

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Magnesium binding site 5 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1104

b:7.7
occ:0.87
 OE1 B:GLU461 2.0 9.9 1.0
O B:HOH1362 2.0 9.3 1.0
OE2 B:GLU416 2.1 9.1 1.0
O B:HOH1438 2.1 8.3 1.0
O B:HOH1298 2.2 10.2 1.0
ND1 B:HIS418 2.3 9.6 1.0
CD B:GLU461 3.1 9.3 1.0
CE1 B:HIS418 3.1 9.6 1.0
CD B:GLU416 3.2 8.7 1.0
CG B:HIS418 3.3 8.8 1.0
OE1 B:GLU416 3.7 9.4 1.0
CB B:HIS418 3.7 8.6 1.0
OE2 B:GLU461 3.9 10.8 1.0
CB B:GLU461 3.9 7.5 1.0
OD1 B:ASN102 4.0 13.3 1.0
O B:HOH1836 4.1 20.9 1.0
CG B:GLU461 4.1 8.2 1.0
CB B:ASP201 4.1 9.7 1.0
N B:ASP201 4.2 8.5 1.0
O B:HOH1286 4.2 14.2 1.0
ND2 B:ASN460 4.2 7.7 1.0
O B:ASP199 4.3 9.2 1.0
NE2 B:HIS418 4.3 8.7 1.0
CG B:GLU416 4.4 7.8 1.0
CD2 B:HIS418 4.4 9.8 1.0
O B:HOH1577 4.5 17.2 1.0
CA B:ASP201 4.8 9.4 1.0
O B:ASN102 4.8 11.3 1.0
CA B:GLN200 4.9 8.6 1.0
C B:GLN200 4.9 9.2 1.0

Magnesium binding site 6 out of 14 in 4ttg

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Magnesium binding site 6 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1105

b:12.9
occ:1.00
 O B:ASN18 2.3 14.6 1.0
OD2 B:ASP193 2.3 12.2 1.0
O B:VAL21 2.3 12.1 1.0
O B:ASP15 2.4 12.0 1.0
OE1 B:GLN163 2.4 12.1 1.0
OD1 B:ASP193 3.0 11.5 1.0
CG B:ASP193 3.0 11.4 1.0
CD B:GLN163 3.2 11.8 1.0
C B:ASN18 3.3 14.9 1.0
NE2 B:GLN163 3.5 12.0 1.0
C B:VAL21 3.5 12.5 1.0
C B:ASP15 3.5 13.2 1.0
N B:ASN18 3.7 14.9 1.0
CA B:ASN18 3.9 14.5 1.0
OH B:TYR161 4.0 12.3 1.0
CA B:TRP16 4.0 12.6 1.0
CB B:ASN18 4.2 16.2 1.0
N B:PRO19 4.2 14.7 1.0
N B:TRP16 4.2 13.0 1.0
CA B:VAL21 4.3 13.5 1.0
C B:TRP16 4.3 13.7 1.0
N B:VAL21 4.3 13.5 1.0
CB B:VAL21 4.3 13.1 1.0
CE2 B:TYR161 4.4 11.5 1.0
CA B:PRO19 4.4 16.0 1.0
CB B:ASP193 4.5 9.7 1.0
N B:THR22 4.5 11.8 1.0
N B:GLU17 4.5 13.7 1.0
CG B:GLN163 4.5 10.5 1.0
CA B:THR22 4.6 12.2 1.0
CA B:ASP15 4.6 14.3 1.0
CZ B:TYR161 4.7 11.3 1.0
CG1 B:VAL21 4.8 13.8 1.0
O B:TRP16 4.9 12.5 1.0
C B:PRO19 4.9 16.1 1.0
C B:GLU17 4.9 15.4 1.0

Magnesium binding site 7 out of 14 in 4ttg

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Magnesium binding site 7 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1106

b:25.2
occ:0.57
 O B:HOH1723 2.2 31.4 1.0
O B:HOH1547 2.2 17.9 1.0
OE1 B:GLN718 2.3 21.1 1.0
O B:HOH1966 2.3 30.2 1.0
O B:HOH1662 2.4 24.4 1.0
O B:HOH1907 2.4 26.1 1.0
CD B:GLN718 3.3 16.9 1.0
NE2 B:GLN718 3.6 17.0 1.0
O B:THR911 4.1 10.3 1.0
O B:HOH1706 4.1 23.3 1.0
O B:HOH2242 4.2 25.3 1.0
C1 B:DMS1128 4.2 29.7 0.9
NE2 B:HIS622 4.2 10.5 1.0
O B:HOH1563 4.3 24.6 1.0
O B:GLN719 4.4 12.3 1.0
O B:DMS1128 4.5 34.9 0.9
K B:K1110 4.5 15.2 0.7
O B:HOH2111 4.6 39.7 1.0
N B:GLN719 4.6 11.0 1.0
CG B:GLN718 4.6 12.8 1.0
O B:HOH1364 4.7 13.7 1.0
CE1 B:HIS622 4.9 9.7 1.0
S B:DMS1128 4.9 36.8 0.9
O B:HOH1524 4.9 32.3 1.0
C2 B:DMS1128 5.0 33.1 0.9

Magnesium binding site 8 out of 14 in 4ttg

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Magnesium binding site 8 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3001

b:8.6
occ:0.86
 O C:HOH3338 2.0 9.8 1.0
OE2 C:GLU416 2.0 9.3 1.0
OE1 C:GLU461 2.1 10.6 1.0
O C:HOH3261 2.1 10.5 1.0
O C:HOH3197 2.2 9.9 1.0
ND1 C:HIS418 2.2 9.2 1.0
CE1 C:HIS418 3.1 9.8 1.0
CD C:GLU461 3.1 10.6 1.0
CD C:GLU416 3.2 8.9 1.0
CG C:HIS418 3.3 8.4 1.0
OE1 C:GLU416 3.6 9.2 1.0
CB C:HIS418 3.6 8.7 1.0
OE2 C:GLU461 3.9 11.8 1.0
CB C:GLU461 4.0 8.2 1.0
OD1 C:ASN102 4.0 13.0 1.0
CG C:GLU461 4.1 8.9 1.0
CB C:ASP201 4.1 9.6 1.0
O C:HOH3732 4.2 19.2 1.0
O C:HOH3184 4.2 12.0 1.0
N C:ASP201 4.2 8.9 1.0
O C:ASP199 4.2 8.7 1.0
ND2 C:ASN460 4.3 8.0 1.0
NE2 C:HIS418 4.3 9.3 1.0
CG C:GLU416 4.4 7.5 1.0
CD2 C:HIS418 4.4 9.7 1.0
O C:HOH3477 4.6 17.0 1.0
O C:ASN102 4.7 11.8 1.0
CA C:ASP201 4.8 9.5 1.0
CA C:GLN200 4.9 9.1 1.0
C C:GLN200 4.9 8.6 1.0

Magnesium binding site 9 out of 14 in 4ttg

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Magnesium binding site 9 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3002

b:10.9
occ:1.00
 O C:VAL21 2.2 11.0 1.0
O C:ASN18 2.3 12.8 1.0
O C:ASP15 2.4 11.2 1.0
OE1 C:GLN163 2.4 11.7 1.0
OD2 C:ASP193 2.4 11.8 1.0
OD1 C:ASP193 3.0 11.2 1.0
CG C:ASP193 3.0 10.1 1.0
CD C:GLN163 3.2 12.7 1.0
C C:ASN18 3.3 14.1 1.0
C C:VAL21 3.4 10.9 1.0
NE2 C:GLN163 3.5 12.6 1.0
C C:ASP15 3.5 11.4 1.0
N C:ASN18 3.8 14.7 1.0
CA C:ASN18 4.0 14.4 1.0
OH C:TYR161 4.0 11.3 1.0
CA C:TRP16 4.1 11.9 1.0
N C:PRO19 4.2 14.3 1.0
CA C:VAL21 4.2 12.6 1.0
N C:TRP16 4.3 11.6 1.0
N C:VAL21 4.3 12.6 1.0
CB C:ASN18 4.3 16.1 1.0
CE2 C:TYR161 4.3 9.0 1.0
CB C:VAL21 4.3 13.2 1.0
C C:TRP16 4.4 11.3 1.0
CA C:PRO19 4.4 14.4 1.0
N C:THR22 4.4 10.3 1.0
CB C:ASP193 4.5 10.0 1.0
CG C:GLN163 4.5 11.8 1.0
N C:GLU17 4.5 13.0 1.0
CA C:THR22 4.6 12.2 1.0
CA C:ASP15 4.7 12.5 1.0
CZ C:TYR161 4.7 10.6 1.0
CG1 C:VAL21 4.8 13.3 1.0
C C:PRO19 4.9 14.4 1.0
O C:TRP16 4.9 11.7 1.0
C C:GLU17 4.9 16.0 1.0

Magnesium binding site 10 out of 14 in 4ttg

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Magnesium binding site 10 out of 14 in the Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Beta-Galactosidase (E. Coli) in the Presence of Potassium Chloride. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3003

b:17.0
occ:0.64
 O C:HOH3147 2.0 26.7 0.6
O C:HOH3134 2.1 34.0 1.0
O C:HOH3105 2.2 23.8 1.0
CG C:GLN49 3.9 30.8 1.0
CD C:GLN49 4.0 39.2 1.0
OE2 C:GLU41 4.1 16.0 1.0
O C:HOH3880 4.2 18.1 1.0
O C:HOH3109 4.2 17.5 1.0
NE2 C:GLN49 4.3 46.7 1.0
OE1 C:GLN49 4.4 42.2 1.0
O C:HOH3977 4.7 19.5 1.0
O C:HOH3113 4.9 15.2 1.0

Reference:

R.W.Wheatley, D.H.Juers, B.B.Lev, R.E.Huber, S.U.Noskov. Elucidating Factors Important For Monovalent Cation Selectivity in Enzymes: E. Coli Beta-Galactosidase As A Model Phys Chem Chem Phys 2015.
ISSN: ESSN 1463-9084
Page generated: Tue Aug 20 04:15:33 2024

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