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Magnesium in PDB 3vda: E. Coli (Lacz) Beta-Galactosidase (N460T)

Enzymatic activity of E. Coli (Lacz) Beta-Galactosidase (N460T)

All present enzymatic activity of E. Coli (Lacz) Beta-Galactosidase (N460T):
3.2.1.23;

Protein crystallography data

The structure of E. Coli (Lacz) Beta-Galactosidase (N460T), PDB code: 3vda was solved by R.W.Wheatley, J.C.Kappelhoff, J.N.Hahn, M.L.Dugdale, M.J.Dutkoski, S.D.Tamman, M.E.Fraser, R.E.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.05 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.596, 164.691, 203.245, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 23.7

Other elements in 3vda:

The structure of E. Coli (Lacz) Beta-Galactosidase (N460T) also contains other interesting chemical elements:

Sodium (Na) 10 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the E. Coli (Lacz) Beta-Galactosidase (N460T) (pdb code 3vda). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the E. Coli (Lacz) Beta-Galactosidase (N460T), PDB code: 3vda:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 3vda

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Magnesium binding site 1 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3001

b:39.6
occ:1.00
 O A:HOH4417 2.0 50.8 1.0
O A:HOH4402 2.0 37.2 1.0
OE1 A:GLU461 2.1 33.1 1.0
OE2 A:GLU416 2.1 32.7 1.0
O A:HOH4376 2.1 31.3 1.0
ND1 A:HIS418 2.4 37.3 1.0
CD A:GLU461 3.2 40.7 1.0
CD A:GLU416 3.2 36.5 1.0
CE1 A:HIS418 3.3 35.8 1.0
CG A:HIS418 3.4 34.6 1.0
CB A:HIS418 3.7 30.9 1.0
OE1 A:GLU416 3.8 42.7 1.0
OE2 A:GLU461 3.9 38.2 1.0
OD1 A:ASN102 4.2 47.7 1.0
CG A:GLU461 4.2 35.4 1.0
O A:ASP199 4.3 33.8 1.0
N A:ASP201 4.3 37.1 1.0
CB A:ASP201 4.3 38.5 1.0
CB A:GLU461 4.3 28.5 1.0
CG A:GLU416 4.4 35.2 1.0
O A:HOH4081 4.4 38.4 1.0
NE2 A:HIS418 4.4 38.7 1.0
CD2 A:HIS418 4.5 34.3 1.0
O A:ASN102 4.7 45.6 1.0
O A:HOH4301 4.7 54.0 1.0
CA A:ASP201 4.8 38.8 1.0
C A:GLN200 5.0 36.7 1.0

Magnesium binding site 2 out of 8 in 3vda

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Magnesium binding site 2 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3002

b:39.1
occ:1.00
 OD2 A:ASP193 2.1 40.4 1.0
O A:ASN18 2.3 39.2 1.0
O A:VAL21 2.3 40.4 1.0
OE1 A:GLN163 2.3 41.7 1.0
O A:ASP15 2.3 42.4 1.0
CG A:ASP193 2.9 37.1 1.0
OD1 A:ASP193 3.1 40.4 1.0
C A:ASN18 3.2 40.4 1.0
CD A:GLN163 3.3 39.5 1.0
C A:VAL21 3.5 40.9 1.0
C A:ASP15 3.5 43.9 1.0
N A:ASN18 3.6 46.0 1.0
NE2 A:GLN163 3.7 38.9 1.0
CA A:ASN18 3.9 42.9 1.0
OH A:TYR161 4.1 38.6 1.0
N A:PRO19 4.1 40.2 1.0
CA A:TRP16 4.1 41.9 1.0
CB A:ASN18 4.2 41.9 1.0
N A:TRP16 4.2 43.1 1.0
CA A:VAL21 4.3 41.3 1.0
CA A:PRO19 4.3 40.4 1.0
C A:TRP16 4.3 43.9 1.0
CB A:ASP193 4.4 35.1 1.0
N A:VAL21 4.4 41.0 1.0
CB A:VAL21 4.4 42.5 1.0
N A:THR22 4.5 41.7 1.0
N A:GLU17 4.5 43.8 1.0
CE2 A:TYR161 4.5 37.6 1.0
CG A:GLN163 4.6 35.6 1.0
CA A:THR22 4.6 43.4 1.0
CA A:ASP15 4.6 43.8 1.0
CZ A:TYR161 4.8 37.4 1.0
C A:GLU17 4.8 46.6 1.0
CG1 A:VAL21 4.9 40.6 1.0
O A:TRP16 4.9 43.5 1.0
C A:PRO19 5.0 41.1 1.0

Magnesium binding site 3 out of 8 in 3vda

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Magnesium binding site 3 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3001

b:39.8
occ:1.00
 OE2 B:GLU416 2.1 43.0 1.0
OE1 B:GLU461 2.1 45.7 1.0
O B:HOH4367 2.1 30.5 1.0
O B:HOH4394 2.1 30.0 1.0
O B:HOH4019 2.3 36.8 1.0
ND1 B:HIS418 2.4 43.6 1.0
CD B:GLU461 3.1 45.9 1.0
CE1 B:HIS418 3.2 40.6 1.0
CD B:GLU416 3.2 43.1 1.0
CG B:HIS418 3.5 38.9 1.0
OE1 B:GLU416 3.7 42.6 1.0
OE2 B:GLU461 3.8 43.5 1.0
CB B:HIS418 3.9 39.3 1.0
CB B:GLU461 4.1 34.2 1.0
CG B:GLU461 4.1 38.6 1.0
O B:HOH4401 4.4 53.1 1.0
OD1 B:ASN102 4.4 45.5 1.0
NE2 B:HIS418 4.4 41.8 1.0
CG B:GLU416 4.4 38.3 1.0
CB B:ASP201 4.5 35.6 1.0
O B:ASP199 4.5 41.3 1.0
CD2 B:HIS418 4.5 39.7 1.0
N B:ASP201 4.6 37.6 1.0
O B:ASN102 4.9 39.9 1.0

Magnesium binding site 4 out of 8 in 3vda

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Magnesium binding site 4 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3002

b:46.7
occ:1.00
 OD2 B:ASP193 2.1 48.8 1.0
O B:ASN18 2.3 46.1 1.0
O B:VAL21 2.3 45.5 1.0
OE1 B:GLN163 2.3 41.8 1.0
O B:ASP15 2.3 47.7 1.0
CG B:ASP193 2.9 42.6 1.0
OD1 B:ASP193 3.1 51.2 1.0
CD B:GLN163 3.2 48.3 1.0
C B:ASN18 3.3 46.6 1.0
C B:VAL21 3.5 43.8 1.0
C B:ASP15 3.5 48.6 1.0
NE2 B:GLN163 3.6 53.0 1.0
N B:ASN18 3.7 48.0 1.0
CA B:ASN18 4.0 46.3 1.0
OH B:TYR161 4.0 35.4 1.0
CA B:TRP16 4.2 49.1 1.0
N B:PRO19 4.2 45.8 1.0
N B:TRP16 4.3 48.7 1.0
C B:TRP16 4.3 50.9 1.0
CA B:VAL21 4.3 45.2 1.0
CB B:ASP193 4.4 37.9 1.0
CE2 B:TYR161 4.4 43.1 1.0
N B:THR22 4.4 43.2 1.0
CA B:PRO19 4.4 45.9 1.0
N B:VAL21 4.5 45.3 1.0
N B:GLU17 4.5 48.6 1.0
CG B:GLN163 4.5 47.5 1.0
CB B:VAL21 4.5 45.3 1.0
CB B:ASN18 4.5 46.5 1.0
CA B:THR22 4.6 42.3 1.0
CA B:ASP15 4.6 48.9 1.0
CZ B:TYR161 4.7 42.5 1.0
O B:TRP16 4.8 52.6 1.0
C B:GLU17 4.9 49.0 1.0
CB B:ASP15 5.0 49.5 1.0
CG1 B:VAL21 5.0 45.9 1.0

Magnesium binding site 5 out of 8 in 3vda

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Magnesium binding site 5 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3001

b:40.2
occ:1.00
 O C:HOH4364 2.0 36.6 1.0
OE1 C:GLU461 2.1 37.4 1.0
OE2 C:GLU416 2.1 41.1 1.0
O C:HOH4382 2.1 33.2 1.0
O C:HOH4314 2.1 37.0 1.0
ND1 C:HIS418 2.4 37.0 1.0
CD C:GLU416 3.2 38.3 1.0
CD C:GLU461 3.2 45.1 1.0
CE1 C:HIS418 3.3 39.5 1.0
CG C:HIS418 3.4 37.9 1.0
OE1 C:GLU416 3.7 40.1 1.0
CB C:HIS418 3.7 36.5 1.0
OE2 C:GLU461 4.0 43.5 1.0
OD1 C:ASN102 4.1 45.2 1.0
CB C:ASP201 4.2 39.9 1.0
O C:ASP199 4.2 35.8 1.0
CG C:GLU461 4.3 39.4 1.0
N C:ASP201 4.3 37.1 1.0
O C:ASN102 4.3 40.6 1.0
CB C:GLU461 4.4 34.6 1.0
NE2 C:HIS418 4.4 37.8 1.0
CG C:GLU416 4.5 39.2 1.0
CD2 C:HIS418 4.5 39.3 1.0
O C:HOH4067 4.6 33.5 1.0
O C:HOH4005 4.7 50.6 1.0
CA C:ASP201 4.8 38.7 1.0
C C:GLN200 4.9 35.9 1.0
CA C:GLN200 4.9 34.9 1.0

Magnesium binding site 6 out of 8 in 3vda

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Magnesium binding site 6 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3002

b:44.7
occ:1.00
 OD2 C:ASP193 2.1 38.5 1.0
O C:VAL21 2.3 45.2 1.0
O C:ASP15 2.3 47.2 1.0
OE1 C:GLN163 2.3 42.4 1.0
O C:ASN18 2.3 47.9 1.0
CG C:ASP193 2.8 39.0 1.0
OD1 C:ASP193 2.9 44.1 1.0
C C:ASN18 3.3 47.8 1.0
CD C:GLN163 3.3 37.3 1.0
C C:VAL21 3.5 44.7 1.0
C C:ASP15 3.5 48.2 1.0
N C:ASN18 3.7 47.1 1.0
NE2 C:GLN163 3.8 42.3 1.0
OH C:TYR161 3.9 41.2 1.0
CA C:ASN18 3.9 47.6 1.0
CA C:TRP16 4.1 45.0 1.0
N C:TRP16 4.2 45.4 1.0
N C:PRO19 4.3 47.8 1.0
CB C:ASP193 4.3 35.8 1.0
C C:TRP16 4.3 46.2 1.0
CA C:VAL21 4.3 45.5 1.0
CB C:ASN18 4.4 47.0 1.0
N C:THR22 4.4 45.3 1.0
N C:VAL21 4.5 49.3 1.0
N C:GLU17 4.5 45.9 1.0
CB C:VAL21 4.5 46.6 1.0
CA C:PRO19 4.5 47.6 1.0
CG C:GLN163 4.5 39.5 1.0
CA C:THR22 4.6 44.5 1.0
CA C:ASP15 4.6 48.4 1.0
CE2 C:TYR161 4.6 40.4 1.0
CZ C:TYR161 4.7 38.1 1.0
O C:TRP16 4.8 47.8 1.0
CG1 C:VAL21 4.8 42.0 1.0
C C:GLU17 4.9 44.7 1.0
CB C:ASP15 4.9 48.1 1.0

Magnesium binding site 7 out of 8 in 3vda

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Magnesium binding site 7 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg3001

b:39.7
occ:1.00
 O D:HOH4392 2.0 42.7 1.0
OE2 D:GLU416 2.1 41.0 1.0
OE1 D:GLU461 2.1 32.5 1.0
O D:HOH4263 2.2 28.8 1.0
O D:HOH4349 2.3 31.5 1.0
ND1 D:HIS418 2.4 38.3 1.0
CD D:GLU461 3.3 40.3 1.0
CD D:GLU416 3.3 39.5 1.0
CG D:HIS418 3.3 35.5 1.0
CE1 D:HIS418 3.3 38.2 1.0
CB D:HIS418 3.5 35.0 1.0
OE1 D:GLU416 3.8 47.0 1.0
OD1 D:ASN102 4.0 51.4 1.0
O D:ASP199 4.0 35.0 1.0
OE2 D:GLU461 4.1 35.8 1.0
N D:ASP201 4.1 37.6 1.0
CG D:GLU461 4.2 36.0 1.0
CB D:GLU461 4.3 32.6 1.0
CB D:ASP201 4.4 41.2 1.0
O D:ASN102 4.4 45.8 1.0
CG D:GLU416 4.4 35.6 1.0
NE2 D:HIS418 4.5 39.6 1.0
CD2 D:HIS418 4.5 34.1 1.0
CA D:ASP201 4.8 38.4 1.0
O D:HOH4069 4.8 41.8 1.0
C D:GLN200 4.9 38.8 1.0
CA D:GLN200 4.9 37.0 1.0
CG2 D:VAL103 5.0 42.9 1.0
CA D:HIS418 5.0 34.7 1.0

Magnesium binding site 8 out of 8 in 3vda

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Magnesium binding site 8 out of 8 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


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 (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg3002

b:45.8
occ:1.00
 OD2 D:ASP193 2.1 45.7 1.0
O D:VAL21 2.3 43.4 1.0
O D:ASN18 2.3 43.4 1.0
O D:ASP15 2.3 47.8 1.0
OE1 D:GLN163 2.7 40.9 1.0
CG D:ASP193 2.9 41.9 1.0
OD1 D:ASP193 3.1 46.1 1.0
C D:ASN18 3.2 42.6 1.0
CD D:GLN163 3.4 43.9 1.0
C D:VAL21 3.5 41.4 1.0
C D:ASP15 3.5 49.4 1.0
NE2 D:GLN163 3.6 40.3 1.0
N D:ASN18 3.8 43.9 1.0
CA D:ASN18 3.9 43.0 1.0
OH D:TYR161 4.0 36.3 1.0
CA D:TRP16 4.0 47.6 1.0
N D:PRO19 4.1 42.2 1.0
N D:TRP16 4.2 48.1 1.0
CB D:ASN18 4.2 42.6 1.0
C D:TRP16 4.3 46.6 1.0
CA D:VAL21 4.3 41.9 1.0
CA D:PRO19 4.3 42.6 1.0
CB D:ASP193 4.4 37.3 1.0
N D:VAL21 4.4 44.2 1.0
CB D:VAL21 4.5 42.8 1.0
N D:THR22 4.5 37.7 1.0
CE2 D:TYR161 4.5 38.9 1.0
N D:GLU17 4.6 46.7 1.0
CA D:THR22 4.6 37.0 1.0
CA D:ASP15 4.6 50.6 1.0
CG D:GLN163 4.6 43.0 1.0
O D:TRP16 4.7 44.5 1.0
CZ D:TYR161 4.8 38.9 1.0
C D:PRO19 4.9 43.9 1.0
CG1 D:VAL21 4.9 42.5 1.0
C D:GLU17 4.9 44.3 1.0

Reference:

R.W.Wheatley, J.C.Kappelhoff, J.N.Hahn, M.L.Dugdale, M.J.Dutkoski, S.D.Tamman, M.E.Fraser, R.E.Huber. Substitution For ASN460 Cripples {Beta}-Galactosidase (Escherichia Coli) By Increasing Substrate Affinity and Decreasing Transition State Stability. Arch.Biochem.Biophys. V. 521 51 2012.
ISSN: ISSN 0003-9861
PubMed: 22446164
DOI: 10.1016/J.ABB.2012.03.014
Page generated: Thu Aug 15 12:59:14 2024

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