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Magnesium in PDB 1hn1: E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)

Enzymatic activity of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)

All present enzymatic activity of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic):
3.1.2.23;

Protein crystallography data

The structure of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic), PDB code: 1hn1 was solved by D.H.Juers, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 153.900, 171.400, 204.500, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1hn1:

The structure of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) (pdb code 1hn1). 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 (Lac Z) Beta-Galactosidase (Orthorhombic), PDB code: 1hn1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 1hn1

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Magnesium binding site 1 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

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

b:29.5
occ:1.00
 OE2 A:GLU416 2.4 28.2 1.0
OE1 A:GLU461 2.5 60.5 1.0
ND1 A:HIS418 2.9 33.9 1.0
OD1 A:ASN102 3.3 49.6 1.0
CD A:GLU416 3.6 71.1 1.0
O A:HOH4001 3.6 52.9 1.0
CB A:ASP201 3.7 35.0 1.0
CE1 A:HIS418 3.7 30.9 1.0
CD A:GLU461 3.7 72.4 1.0
O A:ASN102 3.7 40.4 1.0
N A:ASP201 3.8 28.4 1.0
CG A:HIS418 4.0 31.7 1.0
OE1 A:GLU416 4.1 21.9 1.0
O A:ASP199 4.2 32.4 1.0
CA A:ASP201 4.2 25.8 1.0
CB A:HIS418 4.3 34.0 1.0
OE2 A:GLU461 4.3 35.0 1.0
C A:ASN102 4.5 35.0 1.0
CG2 A:VAL103 4.6 2.3 1.0
CG A:ASN102 4.6 64.6 1.0
C A:GLN200 4.6 38.4 1.0
CG A:GLU416 4.8 5.4 1.0
CA A:GLN200 4.9 29.9 1.0
CG A:ASP201 4.9 72.2 1.0
NE2 A:HIS418 4.9 25.9 1.0
CG A:GLU461 5.0 34.7 1.0

Magnesium binding site 2 out of 8 in 1hn1

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Magnesium binding site 2 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

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

b:29.5
occ:1.00
 O A:VAL21 2.1 46.3 1.0
O A:ASP15 2.3 44.5 1.0
OE1 A:GLN163 2.4 34.0 1.0
O A:ASN18 2.8 23.0 1.0
OD1 A:ASP193 2.8 28.7 1.0
OD2 A:ASP193 2.8 42.9 1.0
NE2 A:GLN163 3.0 1.0 1.0
CD A:GLN163 3.1 37.5 1.0
CG A:ASP193 3.1 29.3 1.0
C A:VAL21 3.2 40.7 1.0
C A:ASN18 3.4 27.9 1.0
C A:ASP15 3.5 31.5 1.0
N A:ASN18 3.7 43.1 1.0
CA A:VAL21 3.9 34.4 1.0
N A:VAL21 3.9 35.0 1.0
CA A:ASN18 3.9 40.5 1.0
CB A:VAL21 4.0 38.4 1.0
CA A:TRP16 4.2 26.5 1.0
N A:THR22 4.2 27.7 1.0
CE2 A:TYR161 4.2 15.2 1.0
N A:TRP16 4.3 24.1 1.0
OH A:TYR161 4.3 23.0 1.0
N A:PRO19 4.3 34.1 1.0
CG1 A:VAL21 4.3 39.8 1.0
CB A:ASN18 4.4 54.6 1.0
N A:GLU17 4.4 18.1 1.0
CA A:ASP15 4.5 27.0 1.0
C A:TRP16 4.5 26.9 1.0
CA A:THR22 4.5 23.2 1.0
CB A:ASP193 4.6 41.7 1.0
CG A:GLN163 4.6 22.3 1.0
CA A:PRO19 4.7 33.0 1.0
CZ A:TYR161 4.8 26.5 1.0
C A:PRO19 4.8 42.5 1.0
C A:GLU17 4.9 38.3 1.0
CB A:ASP15 4.9 35.7 1.0

Magnesium binding site 3 out of 8 in 1hn1

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Magnesium binding site 3 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3001

b:13.2
occ:1.00
 OE2 B:GLU416 2.1 28.7 1.0
OE1 B:GLU461 2.2 57.8 1.0
ND1 B:HIS418 2.3 39.9 1.0
CE1 B:HIS418 3.0 36.8 1.0
OD1 B:ASN102 3.2 57.2 1.0
CD B:GLU461 3.4 23.1 1.0
CD B:GLU416 3.4 30.6 1.0
CG B:HIS418 3.5 35.6 1.0
CB B:ASP201 3.8 34.3 1.0
N B:ASP201 3.9 31.6 1.0
OE1 B:GLU416 3.9 62.0 1.0
CB B:HIS418 4.0 31.2 1.0
OE2 B:GLU461 4.0 34.5 1.0
O B:ASP199 4.2 36.8 1.0
O B:ASN102 4.2 34.3 1.0
NE2 B:HIS418 4.2 32.4 1.0
CA B:ASP201 4.3 34.5 1.0
CG B:ASN102 4.4 48.1 1.0
ND2 B:ASN460 4.4 53.7 1.0
CD2 B:HIS418 4.5 29.2 1.0
CG B:GLU416 4.5 35.2 1.0
CG B:GLU461 4.6 3.6 1.0
O B:HOH4568 4.6 59.9 1.0
O B:HOH4298 4.7 23.0 1.0
CB B:GLU461 4.7 8.3 1.0
C B:ASN102 4.8 39.3 1.0
C B:GLN200 4.9 36.5 1.0
CG2 B:VAL103 4.9 24.7 1.0
CG B:ASP201 5.0 45.7 1.0

Magnesium binding site 4 out of 8 in 1hn1

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Magnesium binding site 4 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3002

b:30.0
occ:1.00
 O B:ASP15 2.0 25.9 1.0
O B:ASN18 2.1 29.2 1.0
O B:VAL21 2.2 37.9 1.0
OE1 B:GLN163 2.4 69.9 1.0
OD2 B:ASP193 2.4 5.2 1.0
C B:ASN18 2.9 31.4 1.0
N B:ASN18 3.0 31.6 1.0
CD B:GLN163 3.2 42.2 1.0
C B:ASP15 3.2 33.0 1.0
C B:VAL21 3.3 42.3 1.0
CA B:ASN18 3.3 29.6 1.0
NE2 B:GLN163 3.4 14.9 1.0
CG B:ASP193 3.4 43.9 1.0
OD1 B:ASP193 3.8 48.8 1.0
N B:PRO19 4.0 29.5 1.0
CB B:ASN18 4.0 28.6 1.0
CA B:VAL21 4.0 36.2 1.0
N B:VAL21 4.0 34.6 1.0
CA B:TRP16 4.1 28.1 1.0
N B:TRP16 4.1 26.0 1.0
OH B:TYR161 4.1 38.4 1.0
N B:GLU17 4.1 37.6 1.0
C B:TRP16 4.2 37.4 1.0
CB B:VAL21 4.2 35.6 1.0
C B:GLU17 4.3 42.7 1.0
CA B:ASP15 4.3 30.2 1.0
CE2 B:TYR161 4.3 65.1 1.0
N B:THR22 4.4 31.3 1.0
CA B:THR22 4.5 28.0 1.0
CA B:PRO19 4.5 25.4 1.0
CZ B:TYR161 4.6 57.5 1.0
CB B:ASP193 4.7 33.9 1.0
CG B:GLN163 4.7 11.2 1.0
CG B:ASN18 4.7 76.1 1.0
CA B:GLU17 4.8 38.8 1.0
CB B:ASP15 4.8 28.6 1.0
C B:PRO19 4.8 34.7 1.0
O B:TRP16 4.8 38.1 1.0
CG2 B:THR22 4.8 2.2 1.0
N B:GLY20 4.9 26.1 1.0
ND2 B:ASN18 5.0 81.8 1.0

Magnesium binding site 5 out of 8 in 1hn1

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Magnesium binding site 5 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3001

b:25.6
occ:1.00
 OE2 C:GLU416 2.1 31.2 1.0
OE1 C:GLU461 2.2 62.2 1.0
ND1 C:HIS418 2.4 38.8 1.0
CD C:GLU416 3.0 83.3 1.0
OE1 C:GLU416 3.2 7.4 1.0
CE1 C:HIS418 3.3 36.5 1.0
CD C:GLU461 3.4 32.0 1.0
CG C:HIS418 3.5 30.4 1.0
OD1 C:ASN102 3.7 68.5 1.0
N C:ASP201 3.9 24.3 1.0
CB C:ASP201 3.9 31.1 1.0
CB C:HIS418 3.9 22.3 1.0
O C:ASP199 3.9 41.6 1.0
OE2 C:GLU461 4.2 18.9 1.0
CG C:GLU416 4.4 35.4 1.0
ND2 C:ASN460 4.4 43.9 1.0
CB C:GLU461 4.4 23.2 1.0
CA C:ASP201 4.5 27.8 1.0
CG C:GLU461 4.5 25.1 1.0
NE2 C:HIS418 4.5 29.7 1.0
CA C:GLN200 4.6 37.0 1.0
O C:ASN102 4.6 52.6 1.0
C C:GLN200 4.6 38.4 1.0
CD2 C:HIS418 4.6 30.4 1.0
CG C:ASN102 4.9 53.8 1.0
C C:ASP199 5.0 34.9 1.0

Magnesium binding site 6 out of 8 in 1hn1

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Magnesium binding site 6 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg3002

b:25.7
occ:1.00
 O C:ASN18 2.1 30.4 1.0
OD2 C:ASP193 2.1 1.0 1.0
O C:ASP15 2.2 20.7 1.0
O C:VAL21 2.3 27.3 1.0
OE1 C:GLN163 2.4 49.2 1.0
NE2 C:GLN163 2.8 4.9 1.0
C C:ASN18 2.9 35.7 1.0
CD C:GLN163 3.0 34.6 1.0
CG C:ASP193 3.1 42.8 1.0
N C:ASN18 3.2 29.0 1.0
C C:ASP15 3.3 27.5 1.0
CA C:ASN18 3.4 28.4 1.0
OD1 C:ASP193 3.4 43.1 1.0
C C:VAL21 3.6 26.8 1.0
CA C:TRP16 3.9 24.1 1.0
N C:PRO19 3.9 29.7 1.0
C C:TRP16 3.9 31.8 1.0
CB C:ASN18 3.9 23.3 1.0
OH C:TYR161 4.0 42.0 1.0
N C:TRP16 4.0 17.2 1.0
O C:TRP16 4.1 27.0 1.0
N C:GLU17 4.3 32.5 1.0
CB C:ASP193 4.4 43.3 1.0
CA C:PRO19 4.4 22.7 1.0
C C:GLU17 4.4 36.6 1.0
CA C:VAL21 4.4 25.5 1.0
N C:VAL21 4.4 23.4 1.0
CA C:ASP15 4.4 39.0 1.0
CG C:GLN163 4.5 35.7 1.0
N C:THR22 4.5 16.7 1.0
CE2 C:TYR161 4.6 32.0 1.0
CA C:THR22 4.6 19.1 1.0
CZ C:TYR161 4.7 41.6 1.0
CB C:VAL21 4.7 32.2 1.0
N C:ASP193 4.8 32.8 1.0
CG C:ASN18 4.8 71.9 1.0
CB C:ASP15 4.8 43.3 1.0
C C:PRO19 4.9 23.1 1.0
CA C:GLU17 4.9 31.8 1.0
CG2 C:THR22 5.0 14.8 1.0
N C:GLY20 5.0 15.0 1.0

Magnesium binding site 7 out of 8 in 1hn1

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Magnesium binding site 7 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg3001

b:26.2
occ:1.00
 OE2 D:GLU416 2.1 32.4 1.0
OE1 D:GLU461 2.2 42.8 1.0
ND1 D:HIS418 2.3 35.4 1.0
CE1 D:HIS418 3.1 26.5 1.0
O D:HOH4412 3.3 55.1 1.0
OD1 D:ASN102 3.3 75.7 1.0
CD D:GLU461 3.4 25.3 1.0
CD D:GLU416 3.4 59.9 1.0
CG D:HIS418 3.5 34.9 1.0
N D:ASP201 3.8 45.1 1.0
CB D:ASP201 3.8 45.7 1.0
OE2 D:GLU461 4.0 35.8 1.0
CB D:HIS418 4.0 34.8 1.0
OE1 D:GLU416 4.1 49.4 1.0
O D:ASP199 4.2 35.3 1.0
CA D:ASP201 4.3 43.2 1.0
O D:ASN102 4.4 36.7 1.0
NE2 D:HIS418 4.4 18.1 1.0
CG D:GLU416 4.5 6.2 1.0
ND2 D:ASN460 4.6 96.2 1.0
CG D:ASN102 4.6 61.4 1.0
CD2 D:HIS418 4.6 17.4 1.0
CG D:GLU461 4.6 4.1 1.0
C D:GLN200 4.7 40.4 1.0
CA D:GLN200 4.8 28.8 1.0
CB D:GLU461 4.8 13.3 1.0
C D:ASN102 4.9 40.8 1.0
CG2 D:VAL103 5.0 25.2 1.0

Magnesium binding site 8 out of 8 in 1hn1

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Magnesium binding site 8 out of 8 in the E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of E. Coli (Lac Z) Beta-Galactosidase (Orthorhombic) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg3002

b:30.8
occ:1.00
 O D:ASP15 2.0 36.4 1.0
O D:VAL21 2.2 26.0 1.0
O D:ASN18 2.2 41.1 1.0
OE1 D:GLN163 2.6 44.7 1.0
OD2 D:ASP193 2.6 36.4 1.0
OD1 D:ASP193 2.7 32.1 1.0
CG D:ASP193 3.0 30.4 1.0
NE2 D:GLN163 3.0 1.0 1.0
C D:ASN18 3.1 35.5 1.0
CD D:GLN163 3.2 42.2 1.0
C D:ASP15 3.2 35.8 1.0
C D:VAL21 3.4 30.7 1.0
N D:ASN18 3.6 46.2 1.0
CA D:ASN18 3.8 40.1 1.0
N D:PRO19 3.9 24.9 1.0
CA D:TRP16 4.0 13.8 1.0
N D:TRP16 4.0 20.4 1.0
N D:VAL21 4.1 35.3 1.0
CA D:PRO19 4.1 25.0 1.0
OH D:TYR161 4.2 26.5 1.0
CB D:ASN18 4.2 24.0 1.0
CA D:VAL21 4.2 29.2 1.0
C D:TRP16 4.2 30.4 1.0
CA D:ASP15 4.3 38.5 1.0
N D:GLU17 4.3 33.4 1.0
N D:THR22 4.4 29.1 1.0
CB D:ASP193 4.4 37.4 1.0
C D:PRO19 4.5 47.9 1.0
CB D:VAL21 4.5 27.5 1.0
CA D:THR22 4.6 27.0 1.0
CE2 D:TYR161 4.6 29.9 1.0
CB D:ASP15 4.7 40.4 1.0
CG D:GLN163 4.7 42.1 1.0
N D:GLY20 4.8 37.5 1.0
C D:GLU17 4.8 46.3 1.0
O D:TRP16 4.9 36.1 1.0
CZ D:TYR161 4.9 56.8 1.0

Reference:

D.H.Juers, B.W.Matthews. Reversible Lattice Repacking Illustrates the Temperature Dependence of Macromolecular Interactions. J.Mol.Biol. V. 311 851 2001.
ISSN: ISSN 0022-2836
PubMed: 11518535
DOI: 10.1006/JMBI.2001.4891
Page generated: Tue Aug 13 03:59:25 2024

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