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Zinc in PDB 7etc: Crystal Structure of Abhpai-Zn-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii

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

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

Protein crystallography data

The structure of Crystal Structure of Abhpai-Zn-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii, PDB code: 7etc 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) 24.38 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.361, 90.311, 86.395, 90, 122.2, 90
R / Rfree (%) 18.5 / 21.9

Other elements in 7etc:

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

Calcium (Ca) 1 atom

Zinc Binding Sites:

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

Zinc binding site 1 out of 3 in 7etc

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Abhpai-Zn-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:18.1
occ:1.00
 OE2 A:GLU151 2.0 13.4 1.0
O A:HOH416 2.1 9.9 1.0
OD2 A:ASP177 2.1 14.3 1.0
O C:HOH418 2.2 16.1 1.0
O10 A:JBU302 2.3 23.0 1.0
O9 A:JBU302 2.4 19.5 1.0
C2 A:JBU302 2.8 26.3 1.0
CD A:GLU151 2.9 13.1 1.0
C1 A:JBU302 3.1 25.0 1.0
CG A:ASP177 3.1 12.4 1.0
OE1 A:GLU151 3.3 12.1 1.0
CB A:ASP177 3.5 12.3 1.0
NE2 A:GLN149 3.6 12.7 1.0
C3 A:JBU302 3.8 31.1 1.0
O A:HOH431 3.8 7.4 1.0
NH1 A:ARG72 3.9 8.8 1.0
OD1 A:ASP177 4.2 12.4 1.0
CG A:GLU151 4.3 12.0 1.0
O C:VAL120 4.3 12.2 1.0
O8 A:JBU302 4.3 28.1 1.0
N A:ASP177 4.4 11.7 1.0
OE1 A:GLU46 4.4 8.8 1.0
CA A:ASP177 4.6 12.1 1.0
CA A:GLY174 4.6 14.5 1.0
CD A:GLN149 4.6 12.1 1.0
CB A:GLU151 4.6 12.1 1.0
OE1 A:GLN149 4.8 14.5 1.0
CZ A:ARG72 4.9 8.7 1.0
O12 A:JBU302 4.9 42.0 1.0
NE2 A:HIS47 4.9 8.7 1.0

Zinc binding site 2 out of 3 in 7etc

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Abhpai-Zn-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:17.0
occ:1.00
 OE2 B:GLU151 2.0 13.3 1.0
O3 B:PYR302 2.1 19.6 1.0
O B:HOH415 2.1 7.4 1.0
O A:HOH441 2.1 16.5 1.0
OD2 B:ASP177 2.1 14.2 1.0
O1 B:PYR302 2.3 17.2 1.0
C2 B:PYR302 2.9 21.7 1.0
CD B:GLU151 3.0 12.7 1.0
C1 B:PYR302 3.0 21.6 1.0
CG B:ASP177 3.1 12.3 1.0
OE1 B:GLU151 3.3 12.3 1.0
CB B:ASP177 3.5 12.6 1.0
NE2 B:GLN149 3.6 11.2 1.0
NH1 B:ARG72 3.8 8.7 1.0
O B:HOH405 3.9 7.2 1.0
OD1 B:ASP177 4.2 12.9 1.0
O2 B:PYR302 4.2 25.6 1.0
O A:VAL120 4.3 12.5 1.0
C3 B:PYR302 4.3 22.3 1.0
CG B:GLU151 4.3 11.9 1.0
N B:ASP177 4.4 12.4 1.0
OE1 B:GLU46 4.4 9.7 1.0
CA B:GLY174 4.6 12.3 1.0
CA B:ASP177 4.6 12.8 1.0
CD B:GLN149 4.6 11.3 1.0
O B:HOH492 4.6 18.3 1.0
CB B:GLU151 4.7 12.0 1.0
OE1 B:GLN149 4.8 12.6 1.0
CZ B:ARG72 4.9 8.7 1.0
NE2 B:HIS47 5.0 7.0 1.0

Zinc binding site 3 out of 3 in 7etc

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Abhpai-Zn-(4R)-Kdgal Complex, Class II Aldolase, Hpai From Acinetobacter Baumannii within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn301

b:17.3
occ:1.00
 OE2 C:GLU151 2.0 13.8 1.0
O C:HOH419 2.0 8.0 1.0
O3 C:PYR302 2.1 19.9 1.0
OD2 C:ASP177 2.1 13.4 1.0
O C:HOH436 2.3 15.6 1.0
O2 C:PYR302 2.3 17.4 1.0
C2 C:PYR302 2.9 21.6 1.0
CD C:GLU151 3.0 13.2 1.0
C1 C:PYR302 3.0 22.4 1.0
CG C:ASP177 3.1 11.4 1.0
OE1 C:GLU151 3.3 12.0 1.0
CB C:ASP177 3.5 11.8 1.0
NE2 C:GLN149 3.6 10.8 1.0
O C:HOH415 3.8 11.6 1.0
NH1 C:ARG72 3.9 8.2 1.0
OD1 C:ASP177 4.2 11.5 1.0
O1 C:PYR302 4.3 24.0 1.0
O B:VAL120 4.3 12.4 1.0
CG C:GLU151 4.3 12.4 1.0
C3 C:PYR302 4.3 22.6 1.0
OE1 C:GLU46 4.4 8.9 1.0
N C:ASP177 4.4 12.0 1.0
O C:HOH497 4.5 21.3 1.0
CD C:GLN149 4.6 10.8 1.0
CA C:GLY174 4.6 14.1 1.0
CA C:ASP177 4.6 11.7 1.0
CB C:GLU151 4.7 12.6 1.0
OE1 C:GLN149 4.7 12.2 1.0
CZ C:ARG72 4.9 8.5 1.0
NE2 C:HIS47 5.0 7.7 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: Tue Oct 29 20:00:07 2024

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