Atomistry » Magnesium » PDB 5bjp-5btm » 5brp
Atomistry »
  Magnesium »
    PDB 5bjp-5btm »
      5brp »

Magnesium in PDB 5brp: Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png

Enzymatic activity of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png

All present enzymatic activity of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png:
3.2.1.93;

Protein crystallography data

The structure of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png, PDB code: 5brp was solved by C.-D.Hsiao, M.-G.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.05
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 60.252, 97.388, 108.539, 80.30, 88.15, 72.18
R / Rfree (%) 17.1 / 21.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png (pdb code 5brp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png, PDB code: 5brp:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5brp

Go back to Magnesium Binding Sites List in 5brp
Magnesium binding site 1 out of 4 in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:18.4
occ:1.00
 OD1 A:ASN28 2.3 18.1 1.0
O A:HOH798 2.3 25.1 1.0
OD1 A:ASP24 2.3 14.0 1.0
O A:VAL30 2.3 15.0 1.0
OG1 A:THR26 2.4 16.1 1.0
OD2 A:ASP32 2.5 18.2 1.0
CG A:ASP24 3.2 19.9 1.0
CG A:ASN28 3.2 19.9 1.0
C A:VAL30 3.5 16.8 1.0
CG A:ASP32 3.6 16.2 1.0
CB A:THR26 3.6 20.7 1.0
ND2 A:ASN28 3.6 17.7 1.0
N A:THR26 3.8 20.4 1.0
CG2 A:THR26 3.9 24.2 1.0
CB A:ASP32 3.9 15.9 1.0
OD2 A:ASP24 4.0 19.2 1.0
CB A:ASP24 4.0 16.8 1.0
CA A:ASP24 4.1 12.5 1.0
N A:VAL30 4.1 15.4 1.0
N A:THR25 4.2 19.4 1.0
CA A:THR26 4.2 19.0 1.0
CA A:VAL30 4.3 17.4 1.0
C A:GLY31 4.3 15.6 1.0
O A:GLY31 4.3 15.7 1.0
N A:ASN28 4.4 21.4 1.0
N A:GLY27 4.5 18.3 1.0
N A:ASP32 4.5 16.2 1.0
C A:ASP24 4.5 19.3 1.0
CB A:VAL30 4.5 21.1 1.0
N A:GLY31 4.5 15.4 1.0
CB A:ASN28 4.6 16.6 1.0
CA A:GLY31 4.7 13.6 1.0
OD1 A:ASP32 4.7 18.3 1.0
C A:THR26 4.7 20.9 1.0
O A:GLU77 4.8 26.5 1.0
CA A:ASP32 4.8 16.1 1.0
N A:GLY29 4.8 20.6 1.0
CA A:ASN28 4.9 18.0 1.0
C A:THR25 4.9 19.3 1.0

Magnesium binding site 2 out of 4 in 5brp

Go back to Magnesium Binding Sites List in 5brp
Magnesium binding site 2 out of 4 in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:25.7
occ:1.00
 OD1 B:ASP24 2.2 22.8 1.0
O B:VAL30 2.3 23.7 1.0
O B:HOH742 2.3 29.6 1.0
OD1 B:ASN28 2.5 26.2 1.0
OG1 B:THR26 2.5 26.1 1.0
OD2 B:ASP32 2.5 25.5 1.0
CG B:ASP24 3.2 26.8 1.0
CG B:ASN28 3.4 28.9 1.0
CB B:THR26 3.5 29.0 1.0
CG B:ASP32 3.5 21.4 1.0
C B:VAL30 3.5 21.8 1.0
CG2 B:THR26 3.6 26.4 1.0
N B:THR26 3.7 27.1 1.0
CB B:ASP32 3.8 22.8 1.0
ND2 B:ASN28 3.9 23.3 1.0
CB B:ASP24 3.9 24.4 1.0
CA B:ASP24 4.0 21.4 1.0
OD2 B:ASP24 4.0 23.9 1.0
N B:THR25 4.1 24.2 1.0
CA B:THR26 4.1 29.9 1.0
N B:VAL30 4.2 23.6 1.0
C B:GLY31 4.2 23.8 1.0
N B:GLY27 4.4 28.2 1.0
CA B:VAL30 4.4 23.9 1.0
O B:GLY31 4.4 25.0 1.0
N B:ASP32 4.4 19.2 1.0
N B:ASN28 4.4 27.4 1.0
C B:ASP24 4.5 24.1 1.0
N B:GLY31 4.5 22.5 1.0
CA B:GLY31 4.6 20.7 1.0
C B:THR26 4.6 29.7 1.0
CB B:ASN28 4.7 24.4 1.0
OD1 B:ASP32 4.7 22.7 1.0
CA B:ASP32 4.7 21.2 1.0
CB B:VAL30 4.7 24.7 1.0
O B:GLU77 4.8 30.2 1.0
C B:THR25 4.8 26.9 1.0
O B:HOH994 4.9 33.9 1.0
N B:GLY29 4.9 25.0 1.0
CA B:ASN28 5.0 24.2 1.0

Magnesium binding site 3 out of 4 in 5brp

Go back to Magnesium Binding Sites List in 5brp
Magnesium binding site 3 out of 4 in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg602

b:22.1
occ:1.00
 OD1 C:ASP24 2.2 22.4 1.0
O C:VAL30 2.3 22.6 1.0
O C:HOH830 2.3 24.3 1.0
OD1 C:ASN28 2.4 21.3 1.0
OD2 C:ASP32 2.5 25.2 1.0
OG1 C:THR26 2.5 24.7 1.0
CG C:ASP24 3.2 23.8 1.0
CG C:ASN28 3.3 22.4 1.0
C C:VAL30 3.5 20.8 1.0
CG C:ASP32 3.6 24.0 1.0
CB C:THR26 3.7 23.3 1.0
ND2 C:ASN28 3.7 27.6 1.0
N C:THR26 3.8 27.6 1.0
CB C:ASP24 3.9 19.9 1.0
CB C:ASP32 3.9 20.8 1.0
CA C:ASP24 4.0 19.1 1.0
CG2 C:THR26 4.1 23.9 1.0
OD2 C:ASP24 4.1 24.4 1.0
N C:THR25 4.1 17.6 1.0
N C:VAL30 4.2 20.2 1.0
C C:GLY31 4.2 19.9 1.0
CA C:THR26 4.2 25.7 1.0
CA C:VAL30 4.3 23.8 1.0
N C:ASP32 4.4 19.7 1.0
N C:GLY27 4.4 23.4 1.0
O C:GLY31 4.4 20.4 1.0
N C:ASN28 4.4 20.8 1.0
N C:GLY31 4.5 20.7 1.0
C C:ASP24 4.5 20.4 1.0
CA C:GLY31 4.5 19.1 1.0
CB C:VAL30 4.6 24.4 1.0
CB C:ASN28 4.7 22.3 1.0
O C:HOH812 4.7 34.8 1.0
OD1 C:ASP32 4.7 21.3 1.0
C C:THR26 4.7 25.9 1.0
CA C:ASP32 4.8 19.8 1.0
O C:GLU77 4.8 27.9 1.0
N C:GLY29 4.9 21.1 1.0
C C:THR25 4.9 22.6 1.0
CA C:ASN28 5.0 20.0 1.0

Magnesium binding site 4 out of 4 in 5brp

Go back to Magnesium Binding Sites List in 5brp
Magnesium binding site 4 out of 4 in the Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase (Trea), Mutant R201Q, in Complex with Png within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:23.7
occ:1.00
 O D:VAL30 2.2 21.8 1.0
OD2 D:ASP32 2.3 24.1 1.0
O D:HOH913 2.3 25.4 1.0
OD1 D:ASP24 2.3 21.8 1.0
OD1 D:ASN28 2.3 23.9 1.0
OG1 D:THR26 2.7 25.6 1.0
CG D:ASP24 3.2 24.4 1.0
CG D:ASN28 3.3 28.2 1.0
CG D:ASP32 3.4 24.2 1.0
C D:VAL30 3.4 22.6 1.0
ND2 D:ASN28 3.7 28.4 1.0
CB D:ASP32 3.7 20.1 1.0
CB D:THR26 3.8 27.8 1.0
N D:THR26 3.8 24.8 1.0
CB D:ASP24 3.9 23.6 1.0
CG2 D:THR26 4.0 27.3 1.0
CA D:ASP24 4.0 20.8 1.0
OD2 D:ASP24 4.0 22.1 1.0
C D:GLY31 4.1 20.4 1.0
N D:THR25 4.1 24.1 1.0
N D:VAL30 4.2 18.9 1.0
O D:GLY31 4.2 20.4 1.0
CA D:VAL30 4.2 24.4 1.0
CA D:THR26 4.3 26.5 1.0
N D:ASP32 4.3 18.9 1.0
N D:GLY31 4.4 21.1 1.0
CB D:VAL30 4.5 25.0 1.0
N D:ASN28 4.5 24.1 1.0
CA D:GLY31 4.5 19.1 1.0
OD1 D:ASP32 4.5 24.6 1.0
C D:ASP24 4.5 26.5 1.0
N D:GLY27 4.5 24.6 1.0
O D:HOH824 4.6 37.4 1.0
CA D:ASP32 4.6 21.9 1.0
CB D:ASN28 4.6 24.1 1.0
C D:THR26 4.7 25.0 1.0
O D:GLU77 4.7 24.5 1.0
C D:THR25 4.9 25.0 1.0
CA D:ASN28 5.0 24.1 1.0

Reference:

M.-G.Lin, M.-C.Chi, V.Naveen, Y.-C.Li, L.-L.Lin, C.-D.Hsiao. Bacillus Licheniformis Trehalose-6-Phosphate Hydrolase Structures Suggest Keys to Substrate Specificity Acta Crystallogr D Struct V. 72 59 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 26894535
DOI: 10.1107/S2059798315020756
Page generated: Tue Aug 12 05:45:19 2025

Last articles

Mg in 5GG8
Mg in 5GG7
Mg in 5GG6
Mg in 5GAD
Mg in 5GAG
Mg in 5GAF
Mg in 5GAE
Mg in 5G0R
Mg in 5G5V
Mg in 5G3T
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy