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Sodium in PDB 3muz: E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg

Enzymatic activity of E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg

All present enzymatic activity of E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg:
3.2.1.23;

Protein crystallography data

The structure of E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg, PDB code: 3muz was solved by M.L.Dugdale, M.L.Vance, M.R.Driedger, A.Nibber, A.Tran, R.E.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.42 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 151.830, 163.280, 204.200, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 24.8

Other elements in 3muz:

The structure of E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg also contains other interesting chemical elements:

Magnesium (Mg) 14 atoms

Sodium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Sodium atom in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg (pdb code 3muz). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 16 binding sites of Sodium where determined in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg, PDB code: 3muz:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 16 in 3muz

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Sodium binding site 1 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Na3101

b:18.5
occ:1.00
 O6 1:IPT2001 2.2 22.5 0.9
O 1:PHE601 2.2 18.2 1.0
O 1:HOH4262 2.3 21.3 1.0
OD2 1:ASP201 2.3 15.9 1.0
OD1 1:ASN604 2.4 16.4 1.0
C6 1:IPT2001 3.0 20.9 0.9
CG 1:ASP201 3.2 17.6 1.0
CG 1:ASN604 3.4 14.8 1.0
C 1:PHE601 3.5 20.0 1.0
OD1 1:ASP201 3.6 15.8 1.0
ND2 1:ASN604 3.7 13.8 1.0
OH 1:TYR100 3.8 19.2 1.0
O4 1:IPT2001 4.1 17.9 0.9
CA 1:CYS602 4.2 17.9 1.0
NE1 1:TRP568 4.2 12.3 1.0
C5 1:IPT2001 4.2 20.6 0.9
N 1:CYS602 4.3 18.9 1.0
C4 1:IPT2001 4.3 21.1 0.9
CB 1:PHE601 4.5 22.1 1.0
CA 1:PHE601 4.5 19.4 1.0
CB 1:ASP201 4.5 16.2 1.0
O 1:HOH4049 4.5 19.1 1.0
NE2 1:HIS540 4.6 13.4 1.0
O 1:ASP201 4.7 15.3 1.0
C 1:CYS602 4.7 16.6 1.0
CB 1:ASN604 4.8 13.8 1.0
CZ 1:TYR100 4.9 22.2 1.0
CE2 1:TRP568 4.9 12.9 1.0
CZ2 1:TRP568 5.0 12.9 1.0

Sodium binding site 2 out of 16 in 3muz

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Sodium binding site 2 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Na3102

b:12.6
occ:1.00
 O 1:PHE556 2.2 11.0 1.0
O 1:LEU562 2.3 11.6 1.0
O 1:TYR559 2.3 14.7 1.0
O 1:HOH4541 2.5 21.1 1.0
O 1:HOH4374 2.6 22.6 1.0
C 1:TYR559 3.3 12.6 1.0
O 1:PRO560 3.3 10.8 1.0
C 1:LEU562 3.4 10.5 1.0
C 1:PHE556 3.4 10.9 1.0
C 1:PRO560 3.7 11.3 1.0
CA 1:PRO560 3.8 12.6 1.0
O 1:HOH4625 3.8 33.0 1.0
N 1:PRO560 4.0 11.3 1.0
N 1:LEU562 4.0 11.1 1.0
O 1:HOH4268 4.1 22.1 1.0
CA 1:PHE556 4.1 10.3 1.0
CA 1:LEU562 4.2 11.6 1.0
N 1:GLN563 4.3 11.2 1.0
CB 1:LEU562 4.4 11.0 1.0
CA 1:GLN563 4.4 11.6 1.0
CA 1:TYR559 4.4 13.1 1.0
N 1:ARG557 4.4 10.4 1.0
N 1:TYR559 4.5 13.3 1.0
CA 1:ARG557 4.6 11.8 1.0
N 1:ARG561 4.6 11.2 1.0
CD1 1:LEU350 4.7 13.9 1.0
C 1:ARG557 4.7 13.2 1.0
CG 1:GLN563 4.8 10.6 1.0
CB 1:PHE556 4.8 10.7 1.0
O 1:ARG557 4.8 11.5 1.0
C 1:ARG561 4.9 9.8 1.0
O 1:ALA555 5.0 11.1 1.0
CB 1:TYR559 5.0 12.8 1.0

Sodium binding site 3 out of 16 in 3muz

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Sodium binding site 3 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Na3103

b:29.6
occ:1.00
 O 1:LEU967 2.5 22.6 1.0
O 1:PRO932 2.7 17.1 1.0
O 1:THR970 2.8 24.8 1.0
O 1:HOH4198 2.8 23.1 1.0
CZ 1:PHE931 3.5 25.2 1.0
O 1:HOH4961 3.5 38.0 1.0
O 1:HOH4476 3.6 30.3 1.0
CE1 1:PHE931 3.6 25.3 1.0
C 1:PRO932 3.6 18.3 1.0
C 1:LEU967 3.7 21.8 1.0
C 1:THR970 3.8 25.8 1.0
O 1:MET968 3.9 25.1 1.0
C 1:MET968 4.0 25.2 1.0
CE2 1:PHE931 4.0 24.3 1.0
CA 1:MET968 4.1 24.5 1.0
CB 1:PRO932 4.1 20.8 1.0
CA 1:PRO932 4.2 19.0 1.0
N 1:THR970 4.3 25.1 1.0
CD1 1:PHE931 4.3 24.6 1.0
N 1:MET968 4.3 23.3 1.0
N 1:PRO932 4.4 19.8 1.0
CD 1:PRO932 4.5 18.6 1.0
CD2 1:PHE931 4.6 24.2 1.0
CA 1:THR970 4.6 25.1 1.0
N 1:SER933 4.6 17.7 1.0
N 1:GLU969 4.7 24.6 1.0
N 1:SER971 4.7 25.6 1.0
CG 1:PHE931 4.8 23.3 1.0
CA 1:SER971 4.8 25.4 1.0
CG 1:PRO932 4.9 20.8 1.0
CA 1:LEU967 4.9 22.9 1.0
CA 1:SER933 5.0 16.4 1.0

Sodium binding site 4 out of 16 in 3muz

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Sodium binding site 4 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Na3104

b:32.5
occ:1.00
 O 1:GLU650 2.8 17.2 1.0
O 1:SER647 2.9 20.7 1.0
N 1:GLU650 2.9 16.9 1.0
O 1:LEU670 3.3 20.9 1.0
N 1:ASN649 3.4 19.5 1.0
C 1:ASP648 3.4 21.0 1.0
C 1:GLU650 3.6 17.7 1.0
O 1:HOH4604 3.7 28.2 1.0
CA 1:GLU650 3.7 17.9 1.0
O 1:HOH4605 3.7 51.0 1.0
O 1:ASP648 3.7 19.0 1.0
CA 1:ASN649 3.8 18.2 1.0
C 1:ASN649 3.8 18.3 1.0
C 1:SER647 3.8 20.1 1.0
O 1:HOH4958 3.9 71.8 1.0
CA 1:ASP648 3.9 22.1 1.0
N 1:ASP648 4.3 20.8 1.0
CB 1:GLU650 4.3 17.4 1.0
C 1:LEU670 4.5 20.0 1.0
OE1 1:GLU650 4.5 17.3 1.0
N 1:LEU670 4.5 20.4 1.0
O 1:HOH4603 4.8 49.4 1.0
N 1:LEU651 4.9 18.1 1.0
OG 1:SER647 4.9 19.1 1.0
CA 1:LEU670 5.0 20.7 1.0
O 1:ASN649 5.0 19.1 1.0

Sodium binding site 5 out of 16 in 3muz

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Sodium binding site 5 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Na3101

b:15.3
occ:1.00
 O6 2:IPT2001 2.3 18.8 1.0
O 2:HOH4268 2.3 18.4 1.0
O 2:PHE601 2.3 12.6 1.0
OD2 2:ASP201 2.4 12.3 1.0
OD1 2:ASN604 2.4 12.2 1.0
C6 2:IPT2001 2.9 18.3 1.0
CG 2:ASP201 3.3 13.0 1.0
CG 2:ASN604 3.4 12.1 1.0
C 2:PHE601 3.5 12.5 1.0
OD1 2:ASP201 3.6 12.5 1.0
ND2 2:ASN604 3.7 11.4 1.0
OH 2:TYR100 3.7 12.4 1.0
O4 2:IPT2001 4.1 10.5 1.0
NE1 2:TRP568 4.2 9.5 1.0
C5 2:IPT2001 4.2 16.4 1.0
CA 2:CYS602 4.2 11.8 1.0
C4 2:IPT2001 4.3 16.6 1.0
N 2:CYS602 4.3 13.3 1.0
CB 2:ASP201 4.5 11.9 1.0
O 2:HOH4049 4.5 12.8 1.0
CA 2:PHE601 4.6 14.0 1.0
CB 2:PHE601 4.6 13.7 1.0
NE2 2:HIS540 4.6 11.7 1.0
O 2:ASP201 4.7 12.1 1.0
C 2:CYS602 4.7 11.7 1.0
CB 2:ASN604 4.8 12.3 1.0
CZ 2:TYR100 4.8 14.5 1.0
CE2 2:TRP568 4.9 9.4 1.0
CZ2 2:TRP568 4.9 8.6 1.0

Sodium binding site 6 out of 16 in 3muz

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Sodium binding site 6 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Na3102

b:13.9
occ:1.00
 O 2:TYR559 2.1 11.6 1.0
O 2:LEU562 2.2 11.0 1.0
O 2:PHE556 2.3 10.3 1.0
O 2:HOH4579 2.3 26.6 1.0
O 2:HOH4383 2.7 26.7 1.0
C 2:TYR559 3.2 12.0 1.0
O 2:PRO560 3.2 13.6 1.0
C 2:LEU562 3.3 10.2 1.0
C 2:PHE556 3.4 10.6 1.0
C 2:PRO560 3.6 11.9 1.0
CA 2:PRO560 3.7 11.8 1.0
N 2:PRO560 3.8 11.4 1.0
N 2:LEU562 3.8 10.9 1.0
CA 2:LEU562 4.1 10.2 1.0
O 2:HOH4275 4.1 20.0 1.0
CA 2:PHE556 4.1 11.7 1.0
CB 2:LEU562 4.2 11.3 1.0
N 2:GLN563 4.2 9.6 1.0
CA 2:TYR559 4.3 12.4 1.0
CA 2:GLN563 4.4 9.8 1.0
N 2:TYR559 4.4 11.8 1.0
N 2:ARG561 4.5 9.7 1.0
N 2:ARG557 4.5 9.6 1.0
O 2:HOH4897 4.6 33.0 1.0
O 2:HOH4884 4.6 29.2 1.0
CG 2:GLN563 4.7 9.9 1.0
CA 2:ARG557 4.7 10.2 1.0
C 2:ARG561 4.8 10.6 1.0
C 2:ARG557 4.8 10.6 1.0
CB 2:PHE556 4.8 10.9 1.0
CB 2:TYR559 4.8 12.2 1.0
O 2:ARG557 4.9 10.6 1.0
O 2:ALA555 4.9 11.7 1.0

Sodium binding site 7 out of 16 in 3muz

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Sodium binding site 7 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Na3103

b:36.6
occ:1.00
 O 2:LEU967 2.7 18.8 1.0
O 2:THR970 2.7 21.4 1.0
O 2:PRO932 2.7 16.1 1.0
O 2:HOH4201 3.0 17.8 1.0
O 2:HOH4660 3.1 38.3 1.0
CZ 2:PHE931 3.5 23.0 1.0
C 2:PRO932 3.7 14.3 1.0
C 2:THR970 3.7 19.2 1.0
CE1 2:PHE931 3.7 22.7 1.0
O 2:HOH4506 3.7 32.9 1.0
C 2:LEU967 3.8 18.2 1.0
O 2:MET968 3.8 20.7 1.0
CA 2:MET968 3.9 21.2 1.0
C 2:MET968 3.9 21.0 1.0
CE2 2:PHE931 4.0 22.9 1.0
CB 2:PRO932 4.1 15.9 1.0
N 2:THR970 4.2 20.0 1.0
CA 2:PRO932 4.2 14.5 1.0
N 2:PRO932 4.3 15.0 1.0
CD 2:PRO932 4.3 14.5 1.0
N 2:MET968 4.3 19.3 1.0
CD1 2:PHE931 4.3 21.5 1.0
CD2 2:PHE931 4.5 20.6 1.0
CA 2:THR970 4.5 19.3 1.0
N 2:SER971 4.6 20.0 1.0
CA 2:SER971 4.6 20.6 1.0
N 2:GLU969 4.6 20.0 1.0
CG 2:PHE931 4.7 19.3 1.0
N 2:SER933 4.7 14.7 1.0
CG 2:PRO932 4.8 15.1 1.0
C 2:PHE931 4.9 14.3 1.0

Sodium binding site 8 out of 16 in 3muz

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Sodium binding site 8 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Na3104

b:31.4
occ:1.00
 O 2:SER647 2.6 18.3 1.0
O 2:DMS6016 2.7 92.1 1.0
O 2:GLU650 2.8 19.4 1.0
O 2:LEU670 3.0 25.3 1.0
N 2:GLU650 3.0 16.5 1.0
O 2:HOH4550 3.2 35.0 1.0
S 2:DMS6016 3.4 92.2 1.0
C 2:ASP648 3.5 18.2 1.0
N 2:ASN649 3.5 16.7 1.0
C 2:GLU650 3.6 19.1 1.0
C 2:SER647 3.7 18.4 1.0
CA 2:GLU650 3.7 18.2 1.0
CA 2:ASP648 3.7 20.6 1.0
O 2:ASP648 3.9 18.2 1.0
C 2:ASN649 4.0 15.8 1.0
CA 2:ASN649 4.0 16.5 1.0
C 2:LEU670 4.1 26.5 1.0
CB 2:GLU650 4.2 17.1 1.0
N 2:ASP648 4.2 19.1 1.0
N 2:LEU670 4.3 28.1 1.0
C1 2:DMS6016 4.5 91.8 1.0
OE1 2:GLU650 4.6 17.3 1.0
CA 2:LEU670 4.7 27.4 1.0
OG 2:SER647 4.7 17.4 1.0
CB 2:LEU670 4.8 26.9 1.0
N 2:LEU651 4.9 20.4 1.0
C2 2:DMS6016 4.9 92.1 1.0
CA 2:SER647 5.0 18.2 1.0
CB 2:SER647 5.0 18.0 1.0

Sodium binding site 9 out of 16 in 3muz

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Sodium binding site 9 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Na3101

b:13.5
occ:1.00
 O6 3:IPT2001 2.2 20.8 1.0
OD1 3:ASN604 2.3 10.5 1.0
O 3:HOH4267 2.3 19.0 1.0
O 3:PHE601 2.3 12.6 1.0
OD2 3:ASP201 2.4 14.1 1.0
C6 3:IPT2001 2.9 19.2 1.0
CG 3:ASP201 3.3 12.5 1.0
CG 3:ASN604 3.3 11.3 1.0
C 3:PHE601 3.5 13.0 1.0
ND2 3:ASN604 3.6 9.6 1.0
OD1 3:ASP201 3.6 12.3 1.0
OH 3:TYR100 3.7 10.7 1.0
O4 3:IPT2001 4.1 12.6 1.0
NE1 3:TRP568 4.2 12.3 1.0
CA 3:CYS602 4.2 14.4 1.0
C5 3:IPT2001 4.2 15.6 1.0
N 3:CYS602 4.3 12.8 1.0
C4 3:IPT2001 4.3 16.6 1.0
O 3:HOH4049 4.4 13.5 1.0
CA 3:PHE601 4.5 12.7 1.0
CB 3:PHE601 4.5 15.6 1.0
CB 3:ASP201 4.5 10.8 1.0
NE2 3:HIS540 4.6 11.7 1.0
CB 3:ASN604 4.6 10.9 1.0
O 3:ASP201 4.7 12.6 1.0
C 3:CYS602 4.7 15.0 1.0
CZ 3:TYR100 4.8 12.9 1.0
CE2 3:TRP568 4.9 13.4 1.0
CZ2 3:TRP568 4.9 15.1 1.0

Sodium binding site 10 out of 16 in 3muz

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Sodium binding site 10 out of 16 in the E.Coli (Lacz) Beta-Galactosidase (R599A) in Complex with Iptg


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 (R599A) in Complex with Iptg within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Na3102

b:14.3
occ:1.00
 O 3:TYR559 2.2 11.7 1.0
O 3:PHE556 2.2 9.8 1.0
O 3:LEU562 2.3 11.8 1.0
O 3:HOH4579 2.4 24.8 1.0
O 3:HOH4384 2.7 29.0 1.0
O 3:PRO560 3.2 11.8 1.0
C 3:TYR559 3.3 12.4 1.0
C 3:LEU562 3.3 10.5 1.0
C 3:PHE556 3.4 11.2 1.0
C 3:PRO560 3.6 11.2 1.0
CA 3:PRO560 3.7 10.4 1.0
N 3:PRO560 3.9 11.1 1.0
N 3:LEU562 3.9 10.2 1.0
O 3:HOH4274 4.0 21.8 1.0
CA 3:PHE556 4.1 11.5 1.0
CA 3:LEU562 4.1 10.0 1.0
N 3:GLN563 4.3 10.2 1.0
CB 3:LEU562 4.3 10.5 1.0
CA 3:GLN563 4.4 9.0 1.0
CA 3:TYR559 4.4 12.2 1.0
O 3:HOH4959 4.4 44.6 1.0
N 3:TYR559 4.4 12.8 1.0
N 3:ARG557 4.5 11.3 1.0
N 3:ARG561 4.5 10.6 1.0
CA 3:ARG557 4.7 12.5 1.0
CG 3:GLN563 4.7 10.0 1.0
C 3:ARG557 4.8 13.1 1.0
CB 3:PHE556 4.8 8.4 1.0
C 3:ARG561 4.8 11.1 1.0
CD1 3:LEU350 4.9 12.9 1.0
O 3:ALA555 4.9 12.9 1.0
O 3:ARG557 4.9 12.7 1.0
CB 3:TYR559 4.9 13.3 1.0

Reference:

M.L.Dugdale, M.L.Vance, R.W.Wheatley, M.R.Driedger, A.Nibber, A.Tran, R.E.Huber. Importance of Arg-599 of B-Galactosidase (Escherichia Coli) As An Anchor For the Open Conformations of Phe-601 and the Active-Site Loop Biochem.Cell Biol. V. 88 969 2010.
ISSN: ISSN 0829-8211
Page generated: Tue Dec 15 06:18:21 2020

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