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Sodium 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:

Magnesium (Mg) 8 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the E. Coli (Lacz) Beta-Galactosidase (N460T) (pdb code 3vda). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 10 binding sites of Sodium where determined in the E. Coli (Lacz) Beta-Galactosidase (N460T), PDB code: 3vda:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 10 in 3vda

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Sodium binding site 1 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na3101

b:42.0
occ:1.00
 O A:HOH4311 2.3 43.7 1.0
O A:PHE601 2.4 40.6 1.0
OD1 A:ASN604 2.4 41.0 1.0
OD2 A:ASP201 2.4 49.2 1.0
CG A:ASP201 3.2 44.1 1.0
O A:HOH4286 3.3 44.1 1.0
CG A:ASN604 3.4 37.8 1.0
C A:PHE601 3.6 40.1 1.0
OD1 A:ASP201 3.6 47.3 1.0
ND2 A:ASN604 3.7 25.8 1.0
OH A:TYR100 3.8 49.3 1.0
O A:HOH4397 4.0 48.6 1.0
NE1 A:TRP568 4.1 37.8 1.0
CA A:CYS602 4.3 36.4 1.0
N A:CYS602 4.4 39.4 1.0
CB A:ASP201 4.4 38.5 1.0
CA A:PHE601 4.6 39.2 1.0
O A:HOH4084 4.6 37.1 1.0
CB A:PHE601 4.6 40.4 1.0
NE2 A:HIS540 4.7 34.7 1.0
CZ2 A:TRP568 4.7 34.4 1.0
O A:ASP201 4.7 39.5 1.0
CE2 A:TRP568 4.8 35.9 1.0
CB A:ASN604 4.8 37.0 1.0
C A:CYS602 4.9 35.8 1.0
ND2 A:ASN102 4.9 43.8 1.0

Sodium binding site 2 out of 10 in 3vda

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Sodium binding site 2 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na3102

b:36.3
occ:1.00
 O A:PHE556 2.4 34.4 1.0
O A:TYR559 2.4 30.9 1.0
O A:LEU562 2.4 32.9 1.0
O A:HOH4041 2.4 44.7 1.0
O A:HOH4312 2.8 58.9 1.0
O A:PRO560 3.2 29.6 1.0
C A:TYR559 3.4 30.9 1.0
C A:LEU562 3.5 30.7 1.0
C A:PHE556 3.6 32.4 1.0
C A:PRO560 3.6 28.2 1.0
CA A:PRO560 3.6 28.6 1.0
N A:PRO560 3.9 30.0 1.0
N A:LEU562 4.1 28.7 1.0
CA A:LEU562 4.3 28.9 1.0
CA A:PHE556 4.3 30.1 1.0
N A:GLN563 4.5 31.4 1.0
CA A:TYR559 4.5 31.9 1.0
N A:ARG561 4.5 25.0 1.0
N A:TYR559 4.6 32.5 1.0
CA A:GLN563 4.6 31.6 1.0
CB A:LEU562 4.6 28.6 1.0
N A:ARG557 4.6 31.4 1.0
O A:ARG557 4.6 35.2 1.0
CA A:ARG557 4.7 32.2 1.0
C A:ARG557 4.7 33.7 1.0
CG A:GLN563 4.9 29.3 1.0
CD1 A:LEU350 4.9 29.9 1.0
C A:ARG561 5.0 27.4 1.0

Sodium binding site 3 out of 10 in 3vda

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Sodium binding site 3 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na3103

b:41.4
occ:1.00
 O A:HOH4014 2.2 39.7 1.0
O A:PRO932 2.4 41.0 1.0
O A:LEU967 2.6 42.7 1.0
O A:HOH4065 2.7 50.9 1.0
O A:THR970 2.8 49.0 1.0
C A:PRO932 3.4 41.0 1.0
CZ A:PHE931 3.7 44.6 1.0
C A:LEU967 3.7 45.5 1.0
CA A:MET968 3.9 48.3 1.0
CE2 A:PHE931 3.9 46.1 1.0
O A:MET968 4.0 52.4 1.0
C A:MET968 4.0 50.0 1.0
C A:THR970 4.0 48.3 1.0
CE1 A:PHE931 4.1 46.1 1.0
CA A:PRO932 4.1 40.6 1.0
CB A:PRO932 4.1 41.0 1.0
CD A:PRO932 4.1 42.4 1.0
N A:PRO932 4.1 41.0 1.0
N A:MET968 4.3 45.4 1.0
CD2 A:PHE931 4.4 46.5 1.0
N A:SER933 4.5 40.8 1.0
N A:THR970 4.5 47.5 1.0
CD1 A:PHE931 4.6 49.7 1.0
CG A:PRO932 4.6 41.6 1.0
N A:GLU969 4.7 51.1 1.0
CG A:PHE931 4.8 46.9 1.0
CA A:SER933 4.9 39.1 1.0
CA A:THR970 4.9 46.3 1.0
CA A:LEU967 4.9 43.2 1.0
CA A:SER971 4.9 48.9 1.0
N A:SER971 4.9 47.1 1.0
C A:PHE931 5.0 43.0 1.0

Sodium binding site 4 out of 10 in 3vda

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Sodium binding site 4 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na3101

b:44.5
occ:1.00
 OD2 B:ASP201 2.4 46.5 1.0
OD1 B:ASN604 2.4 44.0 1.0
O B:HOH4274 2.5 49.3 1.0
O B:HOH4372 2.7 61.6 1.0
O B:PHE601 2.7 39.9 1.0
CG B:ASP201 3.3 39.8 1.0
CG B:ASN604 3.5 41.8 1.0
OD1 B:ASP201 3.7 42.1 1.0
OH B:TYR100 3.8 43.9 1.0
C B:PHE601 3.8 40.4 1.0
ND2 B:ASN604 4.0 40.0 1.0
NE1 B:TRP568 4.1 31.0 1.0
CA B:CYS602 4.4 40.0 1.0
CB B:ASP201 4.5 35.6 1.0
N B:CYS602 4.5 40.1 1.0
O B:ASP201 4.6 37.0 1.0
CZ2 B:TRP568 4.7 32.7 1.0
NE2 B:HIS540 4.7 38.8 1.0
CE2 B:TRP568 4.8 28.8 1.0
CB B:ASN604 4.8 39.9 1.0
CA B:PHE601 4.9 41.5 1.0
CB B:PHE601 4.9 41.3 1.0
C B:CYS602 4.9 39.7 1.0

Sodium binding site 5 out of 10 in 3vda

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Sodium binding site 5 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na3102

b:31.9
occ:1.00
 O B:PHE556 2.4 30.7 1.0
O B:TYR559 2.4 34.7 1.0
O B:LEU562 2.4 32.8 1.0
O B:HOH4079 2.6 27.9 1.0
O B:HOH4275 3.1 55.5 1.0
C B:TYR559 3.5 35.1 1.0
C B:LEU562 3.5 34.6 1.0
C B:PHE556 3.5 29.9 1.0
O B:PRO560 3.6 37.9 1.0
CA B:PRO560 3.9 36.5 1.0
C B:PRO560 3.9 35.3 1.0
O B:HOH4175 3.9 43.8 1.0
N B:PRO560 4.1 35.5 1.0
CA B:PHE556 4.3 29.3 1.0
N B:LEU562 4.3 31.8 1.0
CA B:LEU562 4.4 32.2 1.0
N B:GLN563 4.4 33.5 1.0
CA B:GLN563 4.4 34.5 1.0
CD1 B:LEU350 4.4 23.1 1.0
N B:ARG557 4.5 30.7 1.0
CA B:TYR559 4.6 32.7 1.0
O B:ARG557 4.6 29.8 1.0
N B:TYR559 4.6 33.0 1.0
CB B:LEU562 4.7 28.3 1.0
CA B:ARG557 4.7 31.3 1.0
C B:ARG557 4.7 30.1 1.0
N B:ARG561 4.8 34.7 1.0
CG B:GLN563 4.8 32.5 1.0
CB B:PHE556 4.8 28.7 1.0

Sodium binding site 6 out of 10 in 3vda

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Sodium binding site 6 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na3101

b:44.1
occ:1.00
 O C:HOH4368 2.4 62.2 1.0
O C:PHE601 2.4 42.2 1.0
OD1 C:ASN604 2.4 46.8 1.0
OD2 C:ASP201 2.6 44.8 1.0
O C:HOH4279 2.7 41.6 1.0
CG C:ASN604 3.3 42.7 1.0
O C:HOH4241 3.5 47.8 1.0
ND2 C:ASN604 3.6 42.1 1.0
C C:PHE601 3.6 39.5 1.0
CG C:ASP201 3.7 42.4 1.0
OH C:TYR100 3.9 42.0 1.0
OD1 C:ASP201 4.1 44.5 1.0
NE2 C:HIS540 4.3 43.2 1.0
NE1 C:TRP568 4.3 38.2 1.0
CB C:PHE601 4.4 38.1 1.0
CA C:PHE601 4.4 39.5 1.0
CE1 C:HIS540 4.5 41.5 1.0
CD1 C:PHE601 4.5 38.7 1.0
N C:CYS602 4.5 39.1 1.0
CA C:CYS602 4.6 39.2 1.0
CB C:ASN604 4.7 41.5 1.0
ND2 C:ASN102 4.7 48.2 1.0
CB C:ASP201 4.9 39.9 1.0

Sodium binding site 7 out of 10 in 3vda

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Sodium binding site 7 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na3102

b:33.7
occ:1.00
 O C:HOH4280 2.3 40.6 1.0
O C:PHE556 2.4 32.5 1.0
O C:TYR559 2.4 32.6 1.0
O C:LEU562 2.4 32.8 1.0
O C:HOH4275 2.6 49.1 1.0
O C:PRO560 3.2 34.2 1.0
C C:TYR559 3.4 32.7 1.0
C C:LEU562 3.4 31.1 1.0
C C:PHE556 3.5 31.8 1.0
C C:PRO560 3.6 31.8 1.0
CA C:PRO560 3.7 32.2 1.0
N C:PRO560 3.9 32.5 1.0
O C:HOH4305 4.1 40.4 1.0
N C:LEU562 4.1 30.2 1.0
CA C:LEU562 4.2 29.5 1.0
CA C:PHE556 4.2 29.4 1.0
N C:GLN563 4.3 30.4 1.0
CA C:GLN563 4.3 30.7 1.0
CB C:LEU562 4.5 27.7 1.0
N C:ARG561 4.5 31.0 1.0
CA C:TYR559 4.5 31.3 1.0
N C:ARG557 4.6 31.1 1.0
N C:TYR559 4.6 32.0 1.0
CD1 C:LEU350 4.7 29.1 1.0
CG C:GLN563 4.7 27.0 1.0
O C:ARG557 4.7 32.6 1.0
CA C:ARG557 4.7 32.6 1.0
C C:ARG557 4.8 32.4 1.0
CB C:PHE556 4.9 28.7 1.0
C C:ARG561 4.9 33.2 1.0
O C:HOH4336 4.9 44.5 1.0
O C:ALA555 5.0 33.0 1.0

Sodium binding site 8 out of 10 in 3vda

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Sodium binding site 8 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na3101

b:43.5
occ:1.00
 O D:PHE601 2.4 43.4 1.0
O D:HOH4049 2.4 42.3 1.0
OD2 D:ASP201 2.4 45.9 1.0
OD1 D:ASN604 2.4 45.8 1.0
O D:HOH4212 2.5 47.7 1.0
CG D:ASP201 3.2 45.1 1.0
CG D:ASN604 3.4 40.2 1.0
OD1 D:ASP201 3.5 51.0 1.0
C D:PHE601 3.6 44.7 1.0
O D:HOH4301 3.6 52.5 1.0
OH D:TYR100 3.8 45.1 1.0
ND2 D:ASN604 3.8 42.3 1.0
NE1 D:TRP568 4.2 38.0 1.0
CB D:ASP201 4.3 41.2 1.0
CA D:CYS602 4.3 40.9 1.0
N D:CYS602 4.4 42.5 1.0
O D:HOH4080 4.4 43.0 1.0
CA D:PHE601 4.6 44.5 1.0
CB D:PHE601 4.7 44.9 1.0
CB D:ASN604 4.8 40.0 1.0
NE2 D:HIS540 4.8 37.8 1.0
CZ2 D:TRP568 4.8 40.3 1.0
C D:CYS602 4.8 40.5 1.0
CE2 D:TRP568 4.8 35.9 1.0
CZ D:TYR100 5.0 50.0 1.0
O D:ASP201 5.0 38.7 1.0

Sodium binding site 9 out of 10 in 3vda

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Sodium binding site 9 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na3102

b:35.8
occ:1.00
 O D:PHE556 2.4 34.4 1.0
O D:TYR559 2.4 36.2 1.0
O D:LEU562 2.4 33.0 1.0
O D:HOH4124 2.6 39.1 1.0
O D:HOH4244 2.6 36.7 1.0
O D:PRO560 3.3 33.3 1.0
C D:LEU562 3.4 32.0 1.0
C D:TYR559 3.4 33.7 1.0
C D:PHE556 3.5 30.2 1.0
C D:PRO560 3.6 33.1 1.0
CA D:PRO560 3.7 31.1 1.0
N D:PRO560 4.0 32.7 1.0
N D:LEU562 4.1 30.6 1.0
CA D:LEU562 4.2 31.2 1.0
CA D:PHE556 4.2 29.8 1.0
N D:GLN563 4.3 33.0 1.0
CA D:GLN563 4.4 32.8 1.0
N D:ARG561 4.5 32.0 1.0
CB D:LEU562 4.5 28.6 1.0
CA D:TYR559 4.6 32.8 1.0
N D:ARG557 4.6 31.3 1.0
CG D:GLN563 4.6 31.1 1.0
N D:TYR559 4.7 32.4 1.0
CD1 D:LEU350 4.7 27.9 1.0
CA D:ARG557 4.7 32.5 1.0
C D:ARG561 4.9 30.7 1.0
C D:ARG557 4.9 34.0 1.0
CB D:PHE556 4.9 28.3 1.0
O D:ARG557 4.9 37.7 1.0

Sodium binding site 10 out of 10 in 3vda

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Sodium binding site 10 out of 10 in the E. Coli (Lacz) Beta-Galactosidase (N460T)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 10 of E. Coli (Lacz) Beta-Galactosidase (N460T) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na3103

b:52.0
occ:1.00
 O D:LEU967 2.6 40.6 1.0
O D:HOH4217 2.6 52.5 1.0
O D:HOH4134 2.8 51.1 1.0
O D:THR970 2.8 49.5 1.0
O D:PRO932 2.8 41.2 1.0
CZ D:PHE931 3.5 35.1 1.0
O D:MET968 3.7 49.8 1.0
CE1 D:PHE931 3.7 33.1 1.0
C D:LEU967 3.7 43.0 1.0
CA D:MET968 3.8 47.5 1.0
C D:MET968 3.8 48.2 1.0
C D:THR970 3.9 50.5 1.0
C D:PRO932 3.9 42.1 1.0
CE2 D:PHE931 4.1 34.2 1.0
N D:MET968 4.2 44.2 1.0
CD D:PRO932 4.3 43.8 1.0
N D:THR970 4.4 51.4 1.0
CD1 D:PHE931 4.4 36.2 1.0
CB D:PRO932 4.5 43.5 1.0
N D:PRO932 4.5 43.0 1.0
CA D:PRO932 4.5 42.2 1.0
N D:GLU969 4.5 49.5 1.0
CD2 D:PHE931 4.7 35.1 1.0
CA D:SER971 4.7 46.8 1.0
N D:SER971 4.7 47.7 1.0
CA D:THR970 4.8 51.4 1.0
N D:SER933 4.9 40.5 1.0
CG D:PHE931 4.9 36.9 1.0
CG D:PRO932 4.9 44.1 1.0
CB D:MET968 5.0 48.3 1.0
C D:GLU969 5.0 50.5 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: Mon Oct 7 13:43:04 2024

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