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Magnesium in PDB 7ete: Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Enzymatic activity of Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

All present enzymatic activity of Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii:
4.1.2.52;

Protein crystallography data

The structure of Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7ete was solved by P.Watthaisong, A.Binlaeh, A.Jaruwat, P.Chaiyen, P.Chitnumsub, S.Maenpuen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.40 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.565, 90.353, 86.518, 90, 122.23, 90
R / Rfree (%) 16.8 / 19.7

Other elements in 7ete:

The structure of Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii (pdb code 7ete). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7ete:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 7ete

Go back to Magnesium Binding Sites List in 7ete
Magnesium binding site 1 out of 3 in the Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


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 Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:36.7
occ:1.00
 O C:HOH427 1.9 19.9 1.0
O A:HOH423 2.2 13.4 1.0
OD2 A:ASP177 2.2 24.4 1.0
OE2 A:GLU151 2.3 33.2 1.0
O A:HOH417 2.3 22.6 1.0
O10 A:JBU301 2.5 41.8 1.0
CG A:ASP177 3.2 21.2 1.0
CD A:GLU151 3.3 30.3 1.0
C2 A:JBU301 3.3 46.2 1.0
NE2 A:GLN149 3.5 17.2 1.0
OE1 A:GLU151 3.6 23.1 1.0
CB A:ASP177 3.6 19.5 1.0
O A:HOH450 3.7 13.9 1.0
NH1 A:ARG72 3.7 8.9 1.0
C3 A:JBU301 3.9 42.1 1.0
O C:VAL120 4.1 13.5 1.0
C1 A:JBU301 4.2 51.8 1.0
O9 A:JBU301 4.3 40.8 1.0
OD1 A:ASP177 4.3 19.3 1.0
OE1 A:GLU46 4.4 8.4 1.0
N A:ASP177 4.5 17.4 1.0
CD A:GLN149 4.5 17.6 1.0
CG A:GLU151 4.6 24.1 1.0
OE1 A:GLN149 4.7 20.5 1.0
CA A:ASP177 4.7 18.2 1.0
CZ A:ARG72 4.7 8.8 1.0
NE2 A:HIS47 4.8 9.1 1.0
CA A:GLY174 4.8 22.2 1.0
CB A:GLU151 4.8 22.4 1.0
O12 A:JBU301 4.9 63.1 1.0
CD2 A:HIS47 4.9 8.6 1.0
NH2 A:ARG72 4.9 7.7 1.0

Magnesium binding site 2 out of 3 in 7ete

Go back to Magnesium Binding Sites List in 7ete
Magnesium binding site 2 out of 3 in the Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


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 Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:32.3
occ:1.00
 O A:HOH414 1.9 21.9 1.0
OD2 B:ASP177 2.2 24.0 1.0
O B:HOH429 2.2 13.8 1.0
OE2 B:GLU151 2.3 31.2 1.0
O B:HOH434 2.3 21.3 1.0
O10 B:JBU301 2.5 39.9 1.0
CG B:ASP177 3.2 21.1 1.0
C2 B:JBU301 3.2 45.5 1.0
CD B:GLU151 3.3 30.0 1.0
NE2 B:GLN149 3.5 17.8 1.0
CB B:ASP177 3.7 19.4 1.0
OE1 B:GLU151 3.7 24.1 1.0
O B:HOH426 3.7 13.3 1.0
C3 B:JBU301 3.8 40.3 1.0
NH1 B:ARG72 3.8 10.1 1.0
O A:VAL120 4.1 15.0 1.0
C1 B:JBU301 4.2 53.4 1.0
OD1 B:ASP177 4.3 19.6 1.0
O9 B:JBU301 4.3 41.0 1.0
OE1 B:GLU46 4.4 10.5 1.0
N B:ASP177 4.5 18.6 1.0
CD B:GLN149 4.5 17.4 1.0
CG B:GLU151 4.6 23.6 1.0
CA B:ASP177 4.7 18.9 1.0
OE1 B:GLN149 4.7 23.7 1.0
CA B:GLY174 4.7 22.6 1.0
CZ B:ARG72 4.7 9.7 1.0
NE2 B:HIS47 4.7 9.5 1.0
CB B:GLU151 4.8 22.3 1.0
O12 B:JBU301 4.8 56.4 1.0
CD2 B:HIS47 4.9 9.4 1.0
NH2 B:ARG72 4.9 9.4 1.0

Magnesium binding site 3 out of 3 in 7ete

Go back to Magnesium Binding Sites List in 7ete
Magnesium binding site 3 out of 3 in the Crystal Structure of Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


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 Abhpai-Mg-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:32.7
occ:1.00
 O B:HOH415 1.9 24.1 1.0
O C:HOH428 2.2 10.7 1.0
OD2 C:ASP177 2.2 24.7 1.0
OE2 C:GLU151 2.3 30.2 1.0
O C:HOH409 2.3 22.8 1.0
O10 C:JBU301 2.5 40.2 1.0
C2 C:JBU301 3.2 46.8 1.0
CG C:ASP177 3.3 20.1 1.0
CD C:GLU151 3.3 28.3 1.0
NE2 C:GLN149 3.5 15.5 1.0
OE1 C:GLU151 3.7 21.2 1.0
O C:HOH452 3.7 10.9 1.0
CB C:ASP177 3.7 19.6 1.0
C3 C:JBU301 3.8 40.9 1.0
NH1 C:ARG72 3.8 8.7 1.0
O B:VAL120 4.1 14.4 1.0
C1 C:JBU301 4.1 51.5 1.0
O8 C:JBU301 4.2 41.1 1.0
OD1 C:ASP177 4.3 18.0 1.0
OE1 C:GLU46 4.4 10.5 1.0
N C:ASP177 4.5 17.9 1.0
CD C:GLN149 4.6 15.9 1.0
CG C:GLU151 4.6 23.0 1.0
CZ C:ARG72 4.7 8.6 1.0
OE1 C:GLN149 4.7 19.9 1.0
NE2 C:HIS47 4.7 8.3 1.0
CA C:ASP177 4.7 18.7 1.0
CA C:GLY174 4.8 23.9 1.0
CB C:GLU151 4.8 20.5 1.0
O12 C:JBU301 4.9 65.2 1.0
CD2 C:HIS47 4.9 7.9 1.0
NH2 C:ARG72 4.9 8.1 1.0

Reference:

P.Watthaisong, A.Binlaeh, A.Jaruwat, N.Lawan, J.Tantipisit, J.Jaroensuk, L.Chuaboon, J.Phonbuppha, R.Tinikul, P.Chaiyen, P.Chitnumsub, S.Maenpuen. Catalytic and Structural Insights Into A Stereospecific and Thermostable Class II Aldolase Hpai From Acinetobacter Baumannii. J.Biol.Chem. 01280 2021.
ISSN: ESSN 1083-351X
PubMed: 34624314
DOI: 10.1016/J.JBC.2021.101280
Page generated: Wed Oct 2 20:58:59 2024

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