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Zinc in PDB 4jbg: 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum

Enzymatic activity of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum

All present enzymatic activity of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum:
1.1.1.1;

Protein crystallography data

The structure of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum, PDB code: 4jbg was solved by S.Lovell, K.P.Battaile, A.Vitale, N.Throne, X.Hu, M.Shen, S.D'auria, D.S.Auld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.99 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 68.509, 126.450, 84.055, 90.00, 108.49, 90.00
R / Rfree (%) 15.2 / 17.4

Other elements in 4jbg:

The structure of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum (pdb code 4jbg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum, PDB code: 4jbg:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4jbg

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Zinc binding site 1 out of 4 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:18.9
occ:1.00
 SG A:CYS97 2.3 17.2 1.0
SG A:CYS94 2.3 18.9 1.0
SG A:CYS105 2.3 17.8 1.0
SG A:CYS91 2.3 20.1 1.0
CB A:CYS105 3.3 19.8 1.0
CB A:CYS97 3.4 16.6 1.0
CB A:CYS94 3.4 23.3 1.0
CB A:CYS91 3.4 17.5 1.0
N A:CYS91 3.5 18.8 1.0
CA A:CYS105 3.7 16.7 1.0
N A:GLY92 3.8 19.7 1.0
N A:CYS94 3.8 18.0 1.0
CA A:CYS91 3.9 21.1 1.0
N A:GLU106 4.0 20.2 1.0
CA A:CYS94 4.2 17.4 1.0
N A:CYS97 4.2 15.6 1.0
C A:CYS105 4.2 20.1 1.0
C A:CYS91 4.2 25.5 1.0
N A:HIS93 4.4 24.8 1.0
CA A:CYS97 4.4 17.0 1.0
N A:VAL107 4.5 21.9 1.0
C A:TYR90 4.6 20.8 1.0
CB A:VAL107 4.7 25.5 1.0
CG2 A:VAL107 4.8 32.1 1.0
CA A:GLY92 4.8 21.5 1.0
C A:CYS94 4.8 18.9 1.0
CA A:TYR90 4.9 20.7 1.0
O A:CYS94 4.9 19.7 1.0
N A:CYS105 4.9 16.5 1.0
C A:HIS93 5.0 29.1 1.0

Zinc binding site 2 out of 4 in 4jbg

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Zinc binding site 2 out of 4 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:19.3
occ:1.00
 SG B:CYS97 2.3 18.8 1.0
SG B:CYS105 2.3 17.4 1.0
SG B:CYS91 2.3 21.3 1.0
SG B:CYS94 2.4 20.1 1.0
CB B:CYS105 3.3 19.4 1.0
CB B:CYS91 3.4 21.9 1.0
CB B:CYS94 3.4 23.2 1.0
CB B:CYS97 3.4 18.5 1.0
N B:CYS91 3.5 20.6 1.0
CA B:CYS105 3.7 18.6 1.0
N B:GLY92 3.8 22.3 1.0
N B:CYS94 3.8 25.3 1.0
CA B:CYS91 3.8 22.0 1.0
N B:GLU106 4.0 19.6 1.0
N B:CYS97 4.2 16.9 1.0
CA B:CYS94 4.2 20.6 1.0
C B:CYS91 4.2 26.9 1.0
C B:CYS105 4.2 21.7 1.0
CA B:CYS97 4.4 18.3 1.0
N B:HIS93 4.4 21.9 1.0
N B:VAL107 4.5 19.5 1.0
C B:TYR90 4.6 19.3 1.0
CB B:VAL107 4.6 26.1 1.0
CG2 B:VAL107 4.8 29.3 1.0
C B:CYS94 4.8 16.7 1.0
CA B:GLY92 4.8 24.1 1.0
CA B:TYR90 4.9 17.8 1.0
O B:CYS94 4.9 18.2 1.0
N B:CYS105 4.9 18.1 1.0
C B:HIS93 5.0 25.6 1.0
CB B:TYR90 5.0 19.8 1.0

Zinc binding site 3 out of 4 in 4jbg

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Zinc binding site 3 out of 4 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:20.0
occ:1.00
 SG C:CYS94 2.3 20.4 1.0
SG C:CYS105 2.3 19.3 1.0
SG C:CYS91 2.3 21.1 1.0
SG C:CYS97 2.3 18.3 1.0
CB C:CYS105 3.3 18.5 1.0
CB C:CYS97 3.4 17.8 1.0
CB C:CYS94 3.4 22.7 1.0
CB C:CYS91 3.4 20.4 1.0
N C:CYS91 3.6 19.9 1.0
CA C:CYS105 3.7 20.6 1.0
N C:CYS94 3.8 22.5 1.0
N C:GLY92 3.8 21.1 1.0
CA C:CYS91 3.9 22.6 1.0
N C:GLU106 4.1 21.2 1.0
CA C:CYS94 4.1 16.7 1.0
N C:CYS97 4.2 16.5 1.0
C C:CYS105 4.2 24.9 1.0
C C:CYS91 4.3 27.6 1.0
N C:HIS93 4.4 22.2 1.0
CA C:CYS97 4.4 15.8 1.0
N C:VAL107 4.5 21.1 1.0
C C:TYR90 4.7 19.4 1.0
CB C:VAL107 4.7 29.0 1.0
CA C:GLY92 4.8 22.1 1.0
C C:CYS94 4.8 16.2 1.0
CG2 C:VAL107 4.9 33.0 1.0
N C:CYS105 4.9 20.6 1.0
C C:HIS93 4.9 25.8 1.0
CA C:TYR90 5.0 17.5 1.0
O C:CYS94 5.0 22.0 1.0
C C:GLY92 5.0 28.2 1.0

Zinc binding site 4 out of 4 in 4jbg

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Zinc binding site 4 out of 4 in the 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of 1.75A Resolution Structure of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:22.0
occ:1.00
 SG D:CYS94 2.3 22.8 1.0
SG D:CYS91 2.3 23.0 1.0
SG D:CYS105 2.3 20.1 1.0
SG D:CYS97 2.3 20.3 1.0
CB D:CYS105 3.3 22.3 1.0
CB D:CYS97 3.4 21.9 1.0
CB D:CYS94 3.4 23.8 1.0
CB D:CYS91 3.4 22.6 1.0
N D:CYS91 3.5 22.6 1.0
CA D:CYS105 3.7 22.6 1.0
N D:GLY92 3.8 22.9 1.0
N D:CYS94 3.8 23.1 1.0
CA D:CYS91 3.9 27.2 1.0
N D:GLU106 4.0 23.6 1.0
CA D:CYS94 4.2 20.9 1.0
N D:CYS97 4.2 17.9 1.0
C D:CYS91 4.2 24.6 1.0
C D:CYS105 4.3 22.6 1.0
CA D:CYS97 4.4 18.6 1.0
N D:HIS93 4.4 23.6 1.0
N D:VAL107 4.5 21.7 1.0
C D:TYR90 4.6 23.0 1.0
CB D:VAL107 4.7 27.1 1.0
CA D:GLY92 4.8 25.2 1.0
C D:CYS94 4.8 20.6 1.0
CG2 D:VAL107 4.9 32.2 1.0
CA D:TYR90 4.9 24.3 1.0
N D:CYS105 4.9 21.4 1.0
O D:CYS94 4.9 22.5 1.0
C D:HIS93 5.0 27.3 1.0

Reference:

A.Vitale, N.Thorne, S.Lovell, K.P.Battaile, X.Hu, M.Shen, S.D'auria, D.S.Auld. Physicochemical Characterization of A Thermostable Alcohol Dehydrogenase From Pyrobaculum Aerophilum. Plos One V. 8 63828 2013.
ISSN: ESSN 1932-6203
PubMed: 23755111
DOI: 10.1371/JOURNAL.PONE.0063828
Page generated: Sun Oct 27 01:06:26 2024

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