Atomistry » Magnesium » PDB 7bpi-7c7i » 7brs
Atomistry »
  Magnesium »
    PDB 7bpi-7c7i »
      7brs »

Magnesium in PDB 7brs: E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02

Enzymatic activity of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02

All present enzymatic activity of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02:
3.2.1.23;

Protein crystallography data

The structure of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02, PDB code: 7brs was solved by X.Chen, Y.L.Hu, Y.Gao, R.Yuan, Y.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.04 / 2.67
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 246.653, 84.423, 240.65, 90, 94.43, 90
R / Rfree (%) 20 / 24.4

Other elements in 7brs:

The structure of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 also contains other interesting chemical elements:

Sodium (Na) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 (pdb code 7brs). 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 Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02, PDB code: 7brs:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 1 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1102

b:27.5
occ:1.00
 OE2 A:GLU461 2.0 66.7 1.0
O A:HOH1233 2.0 32.7 1.0
OE1 A:GLU416 2.0 56.3 1.0
O A:HOH1220 2.1 41.9 1.0
ND1 A:HIS418 2.1 49.8 1.0
O A:HOH1249 2.4 38.9 1.0
CE1 A:HIS418 3.0 46.6 1.0
CD A:GLU461 3.1 62.4 1.0
CG A:HIS418 3.2 42.0 1.0
CD A:GLU416 3.2 52.9 1.0
CB A:HIS418 3.5 41.4 1.0
OE1 A:GLU461 3.7 65.9 1.0
OD1 A:ASN102 3.8 59.5 1.0
OE2 A:GLU416 3.9 53.6 1.0
O A:ASP199 4.1 41.6 1.0
N A:ASP201 4.1 49.7 1.0
CB A:ASP201 4.2 51.0 1.0
NE2 A:HIS418 4.2 50.2 1.0
CB A:GLU461 4.2 40.2 1.0
CG A:GLU461 4.2 56.6 1.0
CD2 A:HIS418 4.3 42.4 1.0
O A:HOH1274 4.3 29.9 1.0
CG A:GLU416 4.3 49.3 1.0
O12 A:F4X1101 4.5 45.4 1.0
ND2 A:ASN460 4.5 40.7 1.0
CA A:ASP201 4.7 50.2 1.0
CG2 A:VAL103 4.8 45.2 1.0
C A:GLN200 4.8 50.3 1.0
C07 A:F4X1101 4.9 50.1 1.0
O A:ASN102 4.9 44.9 1.0
CA A:GLN200 4.9 46.5 1.0
CG A:ASN102 5.0 48.3 1.0

Magnesium binding site 2 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 2 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1103

b:40.0
occ:1.00
 O A:ASP15 1.9 54.9 1.0
OD2 A:ASP193 2.2 50.2 1.0
O A:VAL21 2.3 40.7 1.0
OE1 A:GLN163 2.4 42.9 1.0
O A:ASN18 2.4 36.7 1.0
CG A:ASP193 3.1 47.7 1.0
C A:ASP15 3.1 47.1 1.0
C A:ASN18 3.3 41.0 1.0
OD1 A:ASP193 3.3 50.2 1.0
CD A:GLN163 3.4 43.6 1.0
C A:VAL21 3.5 37.4 1.0
N A:ASN18 3.6 37.8 1.0
CA A:TRP16 3.8 38.4 1.0
OH A:TYR161 3.8 50.5 1.0
NE2 A:GLN163 3.9 50.9 1.0
N A:TRP16 3.9 41.8 1.0
CA A:ASN18 3.9 37.5 1.0
C A:TRP16 4.1 38.6 1.0
CB A:ASN18 4.2 37.5 1.0
CE2 A:TYR161 4.2 43.3 1.0
CA A:ASP15 4.2 42.1 1.0
N A:PRO19 4.2 36.9 1.0
CA A:VAL21 4.3 38.9 1.0
CB A:VAL21 4.3 36.6 1.0
N A:GLU17 4.3 38.6 1.0
N A:VAL21 4.4 36.1 1.0
CZ A:TYR161 4.4 46.0 1.0
N A:THR22 4.5 36.0 1.0
CA A:PRO19 4.5 46.3 1.0
CB A:ASP193 4.5 42.6 1.0
O A:TRP16 4.6 38.7 1.0
CG A:GLN163 4.6 37.4 1.0
CA A:THR22 4.7 36.2 1.0
CB A:ASP15 4.7 40.7 1.0
C A:GLU17 4.8 38.4 1.0
CG1 A:VAL21 4.8 36.7 1.0

Magnesium binding site 3 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 3 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1102

b:23.8
occ:1.00
 OE2 B:GLU461 1.9 63.0 1.0
O B:HOH1234 2.0 31.8 1.0
OE1 B:GLU416 2.0 56.0 1.0
ND1 B:HIS418 2.0 41.6 1.0
O B:HOH1233 2.2 36.2 1.0
O B:HOH1259 2.2 28.0 1.0
CE1 B:HIS418 2.9 46.4 1.0
CD B:GLU461 3.0 58.4 1.0
CG B:HIS418 3.1 46.0 1.0
CD B:GLU416 3.2 46.2 1.0
CB B:HIS418 3.5 40.9 1.0
OE1 B:GLU461 3.7 61.1 1.0
OE2 B:GLU416 3.9 39.0 1.0
OD1 B:ASN102 3.9 53.0 1.0
CG B:GLU461 4.0 46.8 1.0
NE2 B:HIS418 4.1 48.1 1.0
CB B:GLU461 4.1 39.2 1.0
O B:ASP199 4.1 39.9 1.0
CD2 B:HIS418 4.2 49.4 1.0
N B:ASP201 4.2 49.7 1.0
CB B:ASP201 4.2 55.8 1.0
CG B:GLU416 4.3 42.8 1.0
O B:HOH1245 4.4 39.4 1.0
ND2 B:ASN460 4.5 39.4 1.0
O12 B:F4X1101 4.7 55.1 1.0
CA B:ASP201 4.8 48.0 1.0
O B:ASN102 4.8 52.1 1.0
C07 B:F4X1101 4.9 53.9 1.0
CG2 B:VAL103 4.9 44.5 1.0
CA B:HIS418 4.9 39.7 1.0
C B:GLN200 5.0 47.4 1.0

Magnesium binding site 4 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 4 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1103

b:33.9
occ:1.00
 O B:VAL21 2.1 57.9 1.0
O B:ASP15 2.1 56.9 1.0
OD2 B:ASP193 2.2 50.7 1.0
NE2 B:GLN163 2.4 34.7 1.0
O B:ASN18 2.5 36.3 1.0
CG B:ASP193 3.1 55.4 1.0
CD B:GLN163 3.2 48.3 1.0
OD1 B:ASP193 3.3 61.9 1.0
C B:VAL21 3.3 48.0 1.0
C B:ASP15 3.3 49.7 1.0
C B:ASN18 3.4 39.4 1.0
OE1 B:GLN163 3.5 55.2 1.0
OH B:TYR161 3.7 36.0 1.0
N B:ASN18 3.9 35.2 1.0
CA B:TRP16 4.0 35.4 1.0
N B:TRP16 4.1 39.7 1.0
CE2 B:TYR161 4.1 34.7 1.0
CA B:ASN18 4.1 35.0 1.0
CA B:VAL21 4.1 46.6 1.0
CB B:VAL21 4.2 44.6 1.0
C B:TRP16 4.2 35.9 1.0
N B:THR22 4.2 33.8 1.0
N B:PRO19 4.3 45.5 1.0
N B:VAL21 4.3 40.7 1.0
CZ B:TYR161 4.3 35.4 1.0
CA B:THR22 4.4 33.9 1.0
CA B:ASP15 4.4 41.6 1.0
CG B:GLN163 4.4 34.7 1.0
CB B:ASN18 4.5 35.0 1.0
CA B:PRO19 4.5 34.3 1.0
CB B:ASP193 4.5 35.2 1.0
CG1 B:VAL21 4.5 42.5 1.0
N B:GLU17 4.5 35.6 1.0
O B:TRP16 4.7 35.8 1.0
CB B:ASP15 4.8 45.2 1.0
C B:PRO19 5.0 40.5 1.0

Magnesium binding site 5 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 5 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1102

b:40.6
occ:1.00
 OE2 C:GLU461 1.9 63.0 1.0
OE1 C:GLU416 1.9 64.5 1.0
O C:HOH1241 2.1 40.4 1.0
O C:HOH1225 2.1 44.3 1.0
O C:HOH1253 2.2 53.2 1.0
ND1 C:HIS418 2.5 50.8 1.0
CD C:GLU416 3.0 61.6 1.0
CD C:GLU461 3.1 57.0 1.0
CE1 C:HIS418 3.4 42.4 1.0
CG C:HIS418 3.5 43.6 1.0
OE2 C:GLU416 3.6 63.1 1.0
CB C:HIS418 3.8 42.6 1.0
OE1 C:GLU461 3.8 61.6 1.0
N C:ASP201 3.9 46.5 1.0
CB C:ASP201 3.9 44.8 1.0
OD1 C:ASN102 4.0 55.9 1.0
CG C:GLU461 4.1 51.3 1.0
O C:ASP199 4.1 40.9 1.0
CB C:GLU461 4.2 39.2 1.0
CG C:GLU416 4.3 53.2 1.0
ND2 C:ASN460 4.3 41.7 1.0
CA C:ASP201 4.5 46.0 1.0
O12 C:F4X1101 4.5 56.9 1.0
NE2 C:HIS418 4.6 44.5 1.0
CD2 C:HIS418 4.7 47.6 1.0
O C:ASN102 4.7 56.1 1.0
C C:GLN200 4.8 46.8 1.0
CA C:GLN200 4.8 43.8 1.0
C07 C:F4X1101 4.9 50.8 1.0

Magnesium binding site 6 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 6 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1103

b:42.3
occ:1.00
 O C:ASP15 1.9 60.3 1.0
OD2 C:ASP193 2.2 51.5 1.0
O C:ASN18 2.2 41.8 1.0
O C:VAL21 2.4 35.5 1.0
OE1 C:GLN163 2.5 47.9 1.0
CG C:ASP193 3.1 50.9 1.0
C C:ASP15 3.1 51.9 1.0
C C:ASN18 3.2 42.9 1.0
OD1 C:ASP193 3.4 56.0 1.0
N C:ASN18 3.5 37.1 1.0
C C:VAL21 3.6 35.3 1.0
CD C:GLN163 3.6 39.3 1.0
CA C:TRP16 3.8 37.7 1.0
CA C:ASN18 3.8 36.7 1.0
OH C:TYR161 3.8 37.0 1.0
N C:TRP16 3.9 41.8 1.0
C C:TRP16 4.0 40.8 1.0
CB C:ASN18 4.1 36.8 1.0
NE2 C:GLN163 4.1 38.5 1.0
CA C:ASP15 4.2 46.0 1.0
N C:GLU17 4.2 42.9 1.0
N C:PRO19 4.3 53.4 1.0
CB C:VAL21 4.3 39.2 1.0
CA C:VAL21 4.3 39.0 1.0
CE2 C:TYR161 4.3 36.6 1.0
N C:VAL21 4.4 43.8 1.0
CB C:ASP193 4.5 40.3 1.0
CZ C:TYR161 4.5 37.0 1.0
CA C:PRO19 4.5 37.9 1.0
O C:TRP16 4.6 38.0 1.0
N C:THR22 4.6 35.0 1.0
C C:GLU17 4.7 45.2 1.0
CB C:ASP15 4.7 43.8 1.0
CG1 C:VAL21 4.8 36.7 1.0
CA C:THR22 4.8 35.0 1.0
CG C:GLN163 4.8 44.9 1.0
CG C:ASN18 4.9 44.5 1.0
CA C:GLU17 5.0 38.1 1.0

Magnesium binding site 7 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 7 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1102

b:41.5
occ:1.00
 OE2 D:GLU461 1.8 71.1 1.0
O D:HOH1255 2.1 39.1 1.0
OE1 D:GLU416 2.1 51.5 1.0
O D:HOH1209 2.1 38.3 1.0
O D:HOH1221 2.2 40.3 1.0
ND1 D:HIS418 2.2 48.8 1.0
CD D:GLU461 3.0 68.6 1.0
CE1 D:HIS418 3.1 48.4 1.0
CD D:GLU416 3.2 49.1 1.0
CG D:HIS418 3.3 48.4 1.0
OE1 D:GLU461 3.6 69.5 1.0
CB D:HIS418 3.7 44.3 1.0
OE2 D:GLU416 3.8 52.7 1.0
OD1 D:ASN102 3.9 61.6 1.0
CG D:GLU461 4.0 51.5 1.0
CB D:GLU461 4.0 40.2 1.0
CB D:ASP201 4.1 40.7 1.0
N D:ASP201 4.2 51.7 1.0
O D:HOH1223 4.2 43.0 1.0
O D:ASP199 4.3 37.0 1.0
NE2 D:HIS418 4.3 48.2 1.0
CD2 D:HIS418 4.4 50.8 1.0
CG D:GLU416 4.4 43.2 1.0
ND2 D:ASN460 4.4 39.2 1.0
O12 D:F4X1101 4.5 58.5 1.0
CA D:ASP201 4.7 42.0 1.0
C07 D:F4X1101 4.7 44.2 1.0
O D:ASN102 4.9 56.0 1.0
CG2 D:VAL103 4.9 40.8 1.0

Magnesium binding site 8 out of 8 in 7brs

Go back to Magnesium Binding Sites List in 7brs
Magnesium binding site 8 out of 8 in the E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of E.Coli Beta-Galactosidase (E537Q) in Complex with Fluorescent Probe KSA02 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1103

b:43.6
occ:1.00
 O D:ASP15 2.0 49.0 1.0
OD2 D:ASP193 2.1 47.2 1.0
OE1 D:GLN163 2.1 53.9 1.0
O D:VAL21 2.4 37.5 1.0
O D:ASN18 2.6 43.5 1.0
CG D:ASP193 3.1 45.3 1.0
C D:ASP15 3.2 48.7 1.0
CD D:GLN163 3.2 42.1 1.0
OD1 D:ASP193 3.3 53.8 1.0
C D:ASN18 3.5 50.4 1.0
OH D:TYR161 3.5 35.4 1.0
CA D:TRP16 3.6 35.7 1.0
C D:VAL21 3.7 33.5 1.0
N D:ASN18 3.7 34.6 1.0
NE2 D:GLN163 3.7 34.8 1.0
N D:TRP16 3.8 40.4 1.0
C D:TRP16 3.9 35.6 1.0
CA D:ASN18 4.1 34.3 1.0
CE2 D:TYR161 4.2 35.3 1.0
N D:GLU17 4.2 35.6 1.0
CZ D:TYR161 4.3 35.6 1.0
CA D:ASP15 4.3 45.4 1.0
N D:PRO19 4.4 48.0 1.0
CB D:ASP193 4.5 34.8 1.0
CG D:GLN163 4.5 40.6 1.0
CA D:VAL21 4.5 33.6 1.0
CB D:VAL21 4.5 34.3 1.0
O D:TRP16 4.5 39.6 1.0
CB D:ASN18 4.5 35.5 1.0
N D:THR22 4.6 34.6 1.0
CA D:PRO19 4.6 36.1 1.0
N D:VAL21 4.6 33.2 1.0
CA D:THR22 4.7 40.6 1.0
CB D:ASP15 4.8 44.3 1.0
C D:GLU17 4.8 42.7 1.0
CG1 D:VAL21 5.0 34.7 1.0
CB D:TRP16 5.0 38.2 1.0
CA D:GLU17 5.0 35.6 1.0

Reference:

Y.Guo, Y.Gao, Y.L.Hu, Q.M.Liu, X.K.Li, X.M.Li, C.Y.Kim, T.D.James, J.Li, X.Chen. Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes For the Precise Tracking of Senescence Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
DOI: 10.1002/ANIE.202101278
Page generated: Wed Oct 2 13:34:36 2024

Last articles

Cl in 2QKK
Cl in 2QJV
Cl in 2QK4
Cl in 2QJY
Cl in 2QJB
Cl in 2QJU
Cl in 2QIW
Cl in 2QEX
Cl in 2QIH
Cl in 2QEE
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy