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Magnesium in PDB 3i3d: E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg

Enzymatic activity of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg

All present enzymatic activity of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg:
3.2.1.23;

Protein crystallography data

The structure of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg, PDB code: 3i3d was solved by M.L.Dugdale, D.Dymianiw, B.Minhas, R.E.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.97 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 151.540, 162.390, 203.730, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.2

Other elements in 3i3d:

The structure of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg also contains other interesting chemical elements:

Sodium (Na) 17 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Magnesium atom in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg (pdb code 3i3d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 13 binding sites of Magnesium where determined in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg, PDB code: 3i3d:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 13 in 3i3d

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Magnesium binding site 1 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3001

b:14.4
occ:1.00
 OE1 A:GLU461 1.9 14.9 1.0
O A:HOH4076 2.0 13.2 1.0
OE2 A:GLU416 2.2 13.8 1.0
O A:HOH4152 2.2 16.8 1.0
O A:HOH4012 2.3 12.3 1.0
ND1 A:HIS418 2.3 10.7 1.0
CD A:GLU461 3.0 16.3 1.0
CE1 A:HIS418 3.2 10.9 1.0
CD A:GLU416 3.2 14.7 1.0
CG A:HIS418 3.4 11.8 1.0
OE1 A:GLU416 3.7 15.6 1.0
CB A:HIS418 3.7 8.8 1.0
OE2 A:GLU461 3.7 15.4 1.0
CG A:GLU461 4.0 14.6 1.0
OD1 A:ASN102 4.1 19.4 1.0
CB A:GLU461 4.1 13.0 1.0
CB A:ASP201 4.2 18.0 1.0
N A:ASP201 4.2 18.0 1.0
O A:ASP199 4.3 14.5 1.0
ND2 A:ASN460 4.3 10.1 1.0
NE2 A:HIS418 4.4 10.8 1.0
O A:HOH4865 4.4 21.3 1.0
CD2 A:HIS418 4.5 9.8 1.0
CG A:GLU416 4.5 12.8 1.0
O4 A:IPT2001 4.5 19.9 0.9
O A:HOH4866 4.6 55.7 1.0
O A:ASN102 4.6 18.9 1.0
CA A:ASP201 4.7 18.6 1.0
C2 A:IPT2001 4.8 22.3 0.9
C A:GLN200 4.9 19.1 1.0
CA A:GLN200 4.9 17.6 1.0
CG2 A:VAL103 5.0 13.2 1.0

Magnesium binding site 2 out of 13 in 3i3d

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Magnesium binding site 2 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3002

b:18.5
occ:1.00
 O A:VAL21 2.2 21.4 1.0
NE2 A:GLN163 2.2 21.6 1.0
O A:ASN18 2.3 22.9 1.0
OD2 A:ASP193 2.3 27.0 1.0
O A:ASP15 2.4 25.7 1.0
OD1 A:ASP193 2.9 24.8 1.0
CG A:ASP193 3.0 26.4 1.0
CD A:GLN163 3.2 23.7 1.0
C A:ASN18 3.2 24.6 1.0
C A:VAL21 3.4 20.9 1.0
OE1 A:GLN163 3.5 24.3 1.0
C A:ASP15 3.6 26.6 1.0
N A:ASN18 3.7 25.6 1.0
CA A:ASN18 3.9 25.1 1.0
OH A:TYR161 4.0 20.8 1.0
CA A:VAL21 4.1 21.4 1.0
CB A:VAL21 4.1 21.8 1.0
CA A:TRP16 4.2 26.6 1.0
N A:PRO19 4.2 24.5 1.0
N A:VAL21 4.2 22.1 1.0
CB A:ASN18 4.2 25.7 1.0
N A:TRP16 4.3 26.6 1.0
C A:TRP16 4.4 26.1 1.0
N A:THR22 4.4 20.9 1.0
CB A:ASP193 4.4 22.9 1.0
CA A:PRO19 4.4 24.9 1.0
CE2 A:TYR161 4.4 21.9 1.0
N A:GLU17 4.5 24.8 1.0
CG A:GLN163 4.5 23.0 1.0
CA A:THR22 4.5 22.2 1.0
CG1 A:VAL21 4.6 19.1 1.0
CZ A:TYR161 4.7 20.4 1.0
CA A:ASP15 4.7 27.4 1.0
C A:PRO19 4.8 25.2 1.0
O A:TRP16 4.9 26.1 1.0
C A:GLU17 4.9 25.8 1.0

Magnesium binding site 3 out of 13 in 3i3d

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Magnesium binding site 3 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3004

b:56.5
occ:1.00
 O A:HOH4256 2.2 22.9 1.0
O A:HOH4559 2.4 38.8 1.0
O A:HOH4810 2.4 36.5 1.0
OE1 A:GLN718 2.5 22.1 1.0
O A:HOH4362 2.6 36.9 1.0
CD A:GLN718 3.4 18.2 1.0
NE2 A:GLN718 3.7 18.7 1.0
O A:THR911 3.8 11.5 1.0
NE2 A:HIS622 4.1 13.2 1.0
O A:HOH4247 4.4 24.3 1.0
O A:HOH4272 4.5 43.9 1.0
O A:DMS9024 4.5 93.2 1.0
C2 A:DMS9024 4.6 93.1 1.0
O A:HOH4078 4.6 10.8 1.0
C A:THR911 4.7 10.7 1.0
O A:GLN719 4.7 17.2 1.0
N A:GLN719 4.7 14.6 1.0
CE1 A:HIS622 4.8 11.6 1.0
CA A:THR911 4.8 9.2 1.0
CB A:THR911 4.8 9.8 1.0
CG A:GLN718 4.8 16.3 1.0

Magnesium binding site 4 out of 13 in 3i3d

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Magnesium binding site 4 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3001

b:12.6
occ:1.00
 OE1 B:GLU461 2.0 12.0 1.0
OE2 B:GLU416 2.1 11.3 1.0
O B:HOH4076 2.2 7.7 1.0
O B:HOH4012 2.3 7.0 1.0
O B:HOH4152 2.3 12.1 1.0
ND1 B:HIS418 2.3 6.8 1.0
CD B:GLU461 3.1 11.4 1.0
CD B:GLU416 3.1 9.2 1.0
CE1 B:HIS418 3.2 9.8 1.0
CG B:HIS418 3.3 8.7 1.0
OE1 B:GLU416 3.6 9.5 1.0
CB B:HIS418 3.7 7.0 1.0
OE2 B:GLU461 3.8 9.0 1.0
CG B:GLU461 4.1 9.7 1.0
CB B:GLU461 4.1 7.8 1.0
OD1 B:ASN102 4.1 14.5 1.0
CB B:ASP201 4.2 7.5 1.0
N B:ASP201 4.3 8.7 1.0
ND2 B:ASN460 4.3 6.2 1.0
NE2 B:HIS418 4.3 8.5 1.0
O B:HOH4990 4.3 14.3 1.0
CG B:GLU416 4.4 10.0 1.0
O B:ASP199 4.4 8.3 1.0
CD2 B:HIS418 4.4 8.4 1.0
O B:HOH4989 4.5 37.8 1.0
O4 B:IPT2001 4.6 17.3 1.0
C2 B:IPT2001 4.8 21.7 1.0
O B:ASN102 4.8 16.5 1.0
CA B:ASP201 4.8 8.7 1.0
O3 B:IPT2001 5.0 19.1 1.0
C B:GLN200 5.0 9.6 1.0
CA B:GLN200 5.0 6.7 1.0

Magnesium binding site 5 out of 13 in 3i3d

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Magnesium binding site 5 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3002

b:14.0
occ:1.00
 NE2 B:GLN163 2.2 13.9 1.0
OD2 B:ASP193 2.2 11.1 1.0
O B:VAL21 2.3 13.4 1.0
O B:ASP15 2.3 10.8 1.0
O B:ASN18 2.4 14.9 1.0
CG B:ASP193 2.9 11.9 1.0
OD1 B:ASP193 3.0 13.1 1.0
CD B:GLN163 3.2 15.8 1.0
C B:ASN18 3.3 16.0 1.0
OE1 B:GLN163 3.4 17.7 1.0
C B:VAL21 3.5 15.3 1.0
C B:ASP15 3.5 12.5 1.0
N B:ASN18 3.7 15.6 1.0
CA B:ASN18 3.9 16.1 1.0
OH B:TYR161 4.0 13.2 1.0
CA B:TRP16 4.1 14.5 1.0
N B:PRO19 4.2 15.8 1.0
N B:TRP16 4.3 12.7 1.0
CA B:VAL21 4.3 16.0 1.0
C B:TRP16 4.3 16.0 1.0
CE2 B:TYR161 4.3 14.2 1.0
N B:VAL21 4.3 17.5 1.0
CB B:ASN18 4.3 16.0 1.0
CB B:VAL21 4.3 17.7 1.0
CB B:ASP193 4.4 9.9 1.0
N B:GLU17 4.4 16.6 1.0
CA B:PRO19 4.4 17.2 1.0
N B:THR22 4.4 14.5 1.0
CG B:GLN163 4.5 14.2 1.0
CA B:THR22 4.6 15.3 1.0
CZ B:TYR161 4.6 13.4 1.0
CA B:ASP15 4.6 13.1 1.0
O B:TRP16 4.8 15.7 1.0
CG1 B:VAL21 4.9 15.5 1.0
C B:GLU17 4.9 16.3 1.0
C B:PRO19 4.9 17.1 1.0

Magnesium binding site 6 out of 13 in 3i3d

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Magnesium binding site 6 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3004

b:64.3
occ:1.00
 O B:HOH4640 2.4 37.3 1.0
O B:HOH4259 2.4 24.7 1.0
OE1 B:GLN718 2.6 25.1 1.0
C1 B:DMS9030 3.3 89.8 1.0
O B:HOH4275 3.4 40.2 1.0
CD B:GLN718 3.7 21.8 1.0
O B:THR911 3.8 12.4 1.0
NE2 B:GLN718 4.0 21.4 1.0
NE2 B:HIS622 4.3 6.1 1.0
O B:HOH4249 4.4 27.5 1.0
O B:GLN719 4.6 19.9 1.0
N B:GLN719 4.7 17.9 1.0
S B:DMS9030 4.7 89.5 1.0
C B:THR911 4.7 11.5 1.0
CA B:THR911 4.8 9.4 1.0
O B:HOH4078 5.0 15.8 1.0
CE1 B:HIS622 5.0 8.7 1.0
CB B:THR911 5.0 9.5 1.0
CG B:GLN718 5.0 19.9 1.0

Magnesium binding site 7 out of 13 in 3i3d

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Magnesium binding site 7 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3005

b:43.5
occ:1.00
 O B:HOH4562 2.2 36.6 1.0
O B:HOH4763 2.2 27.8 1.0
O B:HOH4794 2.3 31.1 1.0
O B:HOH4933 2.4 20.0 1.0
O B:HOH4505 3.5 58.0 1.0
OE1 B:GLU369 3.8 19.3 1.0
OE2 B:GLU369 4.2 22.6 1.0
O B:HOH5075 4.4 27.6 1.0
CD B:GLU369 4.4 20.3 1.0
O B:HOH4490 4.8 41.6 1.0
O B:HOH5074 4.8 42.3 1.0
O B:HOH4523 4.9 25.6 1.0

Magnesium binding site 8 out of 13 in 3i3d

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Magnesium binding site 8 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3001

b:12.3
occ:1.00
 OE2 C:GLU416 2.0 11.0 1.0
OE1 C:GLU461 2.0 6.0 1.0
O C:HOH4076 2.2 13.1 1.0
O C:HOH4154 2.2 9.3 1.0
O C:HOH4013 2.3 10.1 1.0
ND1 C:HIS418 2.3 6.3 1.0
CD C:GLU461 3.1 10.9 1.0
CD C:GLU416 3.1 9.4 1.0
CE1 C:HIS418 3.2 8.2 1.0
CG C:HIS418 3.3 7.9 1.0
CB C:HIS418 3.6 7.1 1.0
OE1 C:GLU416 3.7 12.7 1.0
OE2 C:GLU461 3.9 11.6 1.0
CB C:GLU461 4.1 8.2 1.0
CG C:GLU461 4.1 7.8 1.0
OD1 C:ASN102 4.1 10.1 1.0
N C:ASP201 4.2 11.2 1.0
CB C:ASP201 4.2 11.0 1.0
O C:ASP199 4.3 6.9 1.0
ND2 C:ASN460 4.3 10.5 1.0
CG C:GLU416 4.3 9.7 1.0
NE2 C:HIS418 4.3 7.7 1.0
CD2 C:HIS418 4.4 6.9 1.0
O C:HOH4957 4.4 15.0 1.0
O C:HOH5045 4.5 32.6 1.0
O4 C:IPT2001 4.6 18.5 1.0
O C:ASN102 4.7 15.6 1.0
CA C:ASP201 4.8 11.4 1.0
CA C:GLN200 4.9 8.7 1.0
C C:GLN200 4.9 10.8 1.0
C2 C:IPT2001 4.9 21.1 1.0

Magnesium binding site 9 out of 13 in 3i3d

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Magnesium binding site 9 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3002

b:11.3
occ:1.00
 NE2 C:GLN163 2.2 9.0 1.0
OD2 C:ASP193 2.2 14.9 1.0
O C:VAL21 2.3 14.0 1.0
O C:ASP15 2.3 17.7 1.0
O C:ASN18 2.4 13.6 1.0
CG C:ASP193 2.9 16.0 1.0
OD1 C:ASP193 3.0 15.5 1.0
CD C:GLN163 3.2 12.0 1.0
C C:ASN18 3.3 15.7 1.0
C C:VAL21 3.4 13.7 1.0
C C:ASP15 3.5 17.3 1.0
OE1 C:GLN163 3.5 14.7 1.0
N C:ASN18 3.6 17.1 1.0
CA C:ASN18 3.9 16.4 1.0
OH C:TYR161 4.0 9.6 1.0
CA C:TRP16 4.1 16.2 1.0
N C:PRO19 4.2 16.8 1.0
CA C:VAL21 4.2 14.3 1.0
N C:TRP16 4.3 16.7 1.0
C C:TRP16 4.3 15.9 1.0
CB C:ASN18 4.3 15.0 1.0
CB C:VAL21 4.3 14.4 1.0
N C:VAL21 4.3 14.7 1.0
CB C:ASP193 4.4 13.0 1.0
N C:GLU17 4.4 15.3 1.0
CE2 C:TYR161 4.4 9.2 1.0
N C:THR22 4.4 13.6 1.0
CA C:PRO19 4.5 17.0 1.0
CG C:GLN163 4.5 13.1 1.0
CA C:ASP15 4.6 17.5 1.0
CA C:THR22 4.6 13.6 1.0
CZ C:TYR161 4.7 6.7 1.0
CG1 C:VAL21 4.8 16.9 1.0
O C:TRP16 4.8 15.5 1.0
C C:GLU17 4.8 17.1 1.0
C C:PRO19 4.9 17.7 1.0
CB C:ASP15 5.0 15.1 1.0

Magnesium binding site 10 out of 13 in 3i3d

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Magnesium binding site 10 out of 13 in the E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of E. Coli (Lacz) Beta-Galactosidase (M542A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3004

b:49.1
occ:1.00
 O C:HOH4258 2.3 21.0 1.0
O C:HOH4375 2.4 30.8 1.0
O C:HOH4868 2.4 32.6 1.0
OE1 C:GLN718 2.9 25.6 1.0
CD C:GLN718 3.9 23.1 1.0
O C:THR911 4.0 10.0 1.0
NE2 C:GLN718 4.1 22.3 1.0
NE2 C:HIS622 4.5 5.2 1.0
O C:HOH4426 4.5 27.5 1.0
O C:HOH4078 4.6 11.2 1.0
O C:HOH4248 4.7 26.3 1.0
O C:HOH4389 4.8 44.4 1.0
O C:GLN719 4.8 15.3 1.0
CA C:THR911 4.8 7.5 1.0
CB C:THR911 4.8 6.5 1.0
C C:THR911 4.8 8.1 1.0

Reference:

M.L.Dugdale, D.L.Dymianiw, B.K.Minhas, I.D'angelo, R.E.Huber. Role of Met-542 As A Guide For the Conformational Changes of Phe-601 That Occur During the Reaction of β-Galactosidase (Escherichia Coli). Biochem.Cell Biol. V. 88 861 2010.
ISSN: ISSN 0829-8211
PubMed: 20921997
DOI: 10.1139/O10-009
Page generated: Wed Aug 14 15:34:17 2024

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