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Manganese in PDB 7etb: Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

Enzymatic activity of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

All present enzymatic activity of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii:
4.1.2.52;

Protein crystallography data

The structure of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7etb 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) 28.45 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.724, 90.345, 86.6, 90, 122.26, 90
R / Rfree (%) 14.6 / 17.7

Other elements in 7etb:

The structure of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Manganese Binding Sites:

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

Manganese binding site 1 out of 3 in 7etb

Go back to Manganese Binding Sites List in 7etb
Manganese binding site 1 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:13.8
occ:1.00
 O3 A:PYR301 2.1 14.5 1.0
OE2 A:GLU151 2.1 11.3 1.0
O A:HOH438 2.2 11.5 1.0
OD2 A:ASP177 2.2 12.9 1.0
O2 A:PYR301 2.2 12.1 1.0
O C:HOH459 2.2 14.0 1.0
C2 A:PYR301 2.8 13.5 1.0
C1 A:PYR301 2.9 14.2 1.0
CD A:GLU151 3.1 12.1 1.0
CG A:ASP177 3.2 12.9 1.0
OE1 A:GLU151 3.5 11.6 1.0
CB A:ASP177 3.6 12.9 1.0
NE2 A:GLN149 3.8 13.7 1.0
O A:HOH436 3.9 11.6 1.0
NH1 A:ARG72 4.0 11.7 1.0
O1 A:PYR301 4.2 13.0 1.0
O C:VAL120 4.2 16.2 1.0
C3 A:PYR301 4.3 10.9 1.0
OD1 A:ASP177 4.3 12.3 1.0
O A:HOH554 4.4 27.7 1.0
N A:ASP177 4.4 13.2 1.0
CG A:GLU151 4.5 11.0 1.0
OE1 A:GLU46 4.5 11.7 1.0
CA A:GLY174 4.5 13.5 1.0
CA A:ASP177 4.6 13.2 1.0
CD A:GLN149 4.8 13.8 1.0
CB A:GLU151 4.8 12.1 1.0
CZ A:ARG72 4.9 11.8 1.0
NE2 A:HIS47 5.0 11.3 1.0

Manganese binding site 2 out of 3 in 7etb

Go back to Manganese Binding Sites List in 7etb
Manganese binding site 2 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:13.1
occ:1.00
 O3 B:PYR300 2.1 13.8 1.0
OE2 B:GLU151 2.1 11.4 1.0
O B:HOH447 2.2 12.6 1.0
OD2 B:ASP177 2.2 12.9 1.0
O A:HOH507 2.2 13.3 1.0
O1 B:PYR300 2.2 12.7 1.0
C2 B:PYR300 2.8 14.3 1.0
C1 B:PYR300 2.9 15.2 1.0
CD B:GLU151 3.2 12.6 1.0
CG B:ASP177 3.2 12.4 1.0
OE1 B:GLU151 3.5 13.0 1.0
CB B:ASP177 3.6 12.7 1.0
NE2 B:GLN149 3.8 13.3 1.0
O B:HOH459 3.9 12.2 1.0
NH1 B:ARG72 4.0 11.7 1.0
O2 B:PYR300 4.2 14.2 1.0
O A:VAL120 4.3 14.8 1.0
C3 B:PYR300 4.3 11.5 1.0
OD1 B:ASP177 4.3 12.6 1.0
O B:HOH569 4.4 25.5 1.0
N B:ASP177 4.4 12.5 1.0
CG B:GLU151 4.5 12.1 1.0
OE1 B:GLU46 4.5 13.9 1.0
CA B:GLY174 4.5 13.8 1.0
CA B:ASP177 4.6 13.1 1.0
CD B:GLN149 4.8 13.9 1.0
CB B:GLU151 4.8 12.1 1.0
CZ B:ARG72 4.9 12.3 1.0
NE2 B:HIS47 5.0 12.5 1.0

Manganese binding site 3 out of 3 in 7etb

Go back to Manganese Binding Sites List in 7etb
Manganese binding site 3 out of 3 in the Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Abhpai-Mn-Pyruvate Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:13.4
occ:1.00
 O3 C:PYR300 2.1 13.7 1.0
O C:HOH434 2.1 11.8 1.0
OE2 C:GLU151 2.1 12.5 1.0
O2 C:PYR300 2.2 12.3 1.0
O B:HOH472 2.2 14.2 1.0
OD2 C:ASP177 2.2 12.1 1.0
C2 C:PYR300 2.9 13.8 1.0
C1 C:PYR300 2.9 14.7 1.0
CD C:GLU151 3.1 13.5 1.0
CG C:ASP177 3.2 11.4 1.0
OE1 C:GLU151 3.5 12.8 1.0
CB C:ASP177 3.6 11.6 1.0
NE2 C:GLN149 3.8 12.8 1.0
O C:HOH452 3.8 10.5 1.0
NH1 C:ARG72 4.0 14.2 1.0
O1 C:PYR300 4.2 13.8 1.0
O B:VAL120 4.2 14.3 1.0
C3 C:PYR300 4.3 12.0 1.0
OD1 C:ASP177 4.4 11.2 1.0
O C:HOH569 4.4 26.2 1.0
N C:ASP177 4.4 12.3 1.0
CG C:GLU151 4.5 11.7 1.0
OE1 C:GLU46 4.5 12.9 1.0
CA C:GLY174 4.5 14.7 1.0
CA C:ASP177 4.6 12.0 1.0
CD C:GLN149 4.7 13.2 1.0
CB C:GLU151 4.8 12.1 1.0
CZ C:ARG72 4.9 13.7 1.0
NE2 C:HIS47 5.0 12.1 1.0
OE1 C:GLN149 5.0 15.1 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: Sun Oct 6 08:32:28 2024

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