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Zinc in PDB 6z42: The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.

Enzymatic activity of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.

All present enzymatic activity of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.:
1.1.1.1;

Protein crystallography data

The structure of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata., PDB code: 6z42 was solved by L.J.Gourlay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.50 / 4.00
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 104.662, 104.662, 516.213, 90.00, 90.00, 120.00
R / Rfree (%) 32.9 / 36.7

Zinc Binding Sites:

The binding sites of Zinc atom in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. (pdb code 6z42). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata., PDB code: 6z42:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 6z42

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Zinc binding site 1 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:85.2
occ:0.50
 OE2 A:GLU66 2.0 0.9 1.0
NE2 A:HIS65 2.0 0.2 1.0
SG A:CYS42 2.3 0.2 1.0
CB A:CYS42 2.5 0.8 1.0
SG A:CYS152 2.5 94.5 1.0
CB A:CYS152 2.6 94.0 1.0
CE1 A:HIS65 2.7 0.5 1.0
CD2 A:HIS65 3.0 1.0 1.0
CD A:GLU66 3.1 0.6 1.0
OG1 A:THR44 3.5 0.4 1.0
ND1 A:HIS65 3.7 0.8 1.0
CG A:GLU66 3.8 0.9 1.0
CG A:HIS65 3.9 0.6 1.0
CA A:CYS42 4.0 0.0 1.0
OE1 A:GLU66 4.1 0.3 1.0
CA A:CYS152 4.1 91.9 1.0
NH2 A:ARG335 4.2 0.9 0.0
CB A:THR44 4.4 0.8 1.0
N A:CYS42 4.7 0.5 1.0
C A:CYS152 4.7 91.8 1.0
N A:ALA153 4.8 98.1 1.0
N A:CYS152 4.8 91.7 1.0
C A:CYS42 5.0 0.5 1.0
NH1 A:ARG335 5.0 0.7 0.0

Zinc binding site 2 out of 8 in 6z42

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Zinc binding site 2 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:87.8
occ:1.00
 SG A:CYS102 2.2 99.1 1.0
SG A:CYS99 2.2 1.0 1.0
SG A:CYS96 2.3 0.4 1.0
SG A:CYS110 2.7 97.7 1.0
CB A:CYS102 2.7 96.0 1.0
N A:CYS99 3.0 0.1 1.0
CB A:CYS99 3.2 0.3 1.0
N A:GLY97 3.3 0.2 1.0
CB A:CYS96 3.4 0.3 1.0
N A:HIS98 3.4 0.4 1.0
CB A:CYS110 3.5 97.7 1.0
CA A:CYS99 3.6 0.9 1.0
N A:CYS96 3.6 0.2 1.0
C A:CYS96 3.7 0.1 1.0
CA A:CYS96 3.7 0.5 1.0
CA A:CYS102 3.9 94.5 1.0
N A:CYS102 4.0 94.3 1.0
O A:CYS99 4.0 0.9 1.0
CA A:GLY97 4.0 0.9 1.0
C A:HIS98 4.1 0.1 1.0
C A:GLY97 4.2 0.1 1.0
C A:CYS99 4.2 0.1 1.0
CA A:HIS98 4.3 0.3 1.0
CA A:CYS110 4.3 98.0 1.0
CB A:THR95 4.6 99.0 1.0
O A:CYS96 4.6 0.5 1.0
C A:THR95 4.7 0.6 1.0
OG1 A:THR95 5.0 97.5 1.0

Zinc binding site 3 out of 8 in 6z42

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Zinc binding site 3 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:83.2
occ:1.00
 OG1 B:THR44 2.1 91.2 1.0
NE2 B:HIS65 2.6 83.0 1.0
SG B:CYS42 2.6 85.5 1.0
SG B:CYS152 2.7 56.4 1.0
CB B:THR44 2.8 92.5 1.0
CE1 B:HIS65 3.2 83.6 1.0
CB B:CYS42 3.5 86.7 1.0
CG2 B:THR44 3.7 92.9 1.0
CD2 B:HIS65 3.8 83.9 1.0
CB B:CYS152 4.0 57.8 1.0
CA B:THR44 4.0 92.5 1.0
N B:THR44 4.1 91.5 1.0
OE2 B:GLU66 4.2 86.9 1.0
ND1 B:HIS65 4.5 84.9 1.0
CG B:HIS65 4.8 85.1 1.0
C B:THR44 4.9 93.9 1.0
CA B:CYS42 4.9 86.2 1.0
N B:ASP45 4.9 89.5 1.0

Zinc binding site 4 out of 8 in 6z42

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Zinc binding site 4 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:72.8
occ:0.50
 SG B:CYS96 2.2 0.7 1.0
SG B:CYS102 2.2 96.6 1.0
SG B:CYS99 2.3 0.6 1.0
SG B:CYS110 2.5 88.8 1.0
CB B:CYS102 3.0 96.3 1.0
N B:CYS99 3.1 0.9 1.0
CB B:CYS99 3.3 0.4 1.0
N B:GLY97 3.3 92.8 1.0
CB B:CYS96 3.3 0.8 1.0
CB B:CYS110 3.4 87.1 1.0
N B:CYS96 3.5 0.8 1.0
N B:HIS98 3.6 0.2 1.0
CA B:CYS96 3.7 1.0 1.0
C B:CYS96 3.7 0.9 1.0
CA B:CYS99 3.7 0.8 1.0
CA B:GLY97 4.1 92.8 1.0
CA B:CYS102 4.2 94.8 1.0
C B:HIS98 4.2 0.3 1.0
CA B:CYS110 4.3 86.2 1.0
N B:CYS102 4.3 94.1 1.0
C B:GLY97 4.3 93.0 1.0
O B:CYS99 4.3 0.6 1.0
C B:CYS99 4.4 0.7 1.0
CA B:HIS98 4.5 0.5 1.0
CB B:THR95 4.6 98.3 1.0
O B:CYS96 4.6 0.0 1.0
C B:THR95 4.7 0.8 1.0
OG1 B:THR95 4.9 98.6 1.0

Zinc binding site 5 out of 8 in 6z42

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Zinc binding site 5 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn401

b:0.7
occ:1.00
 OG1 C:THR44 2.0 0.1 1.0
NE2 C:HIS65 2.1 0.9 1.0
SG C:CYS152 2.4 0.2 1.0
SG C:CYS42 2.5 0.3 1.0
CE1 C:HIS65 2.9 0.9 1.0
CB C:THR44 2.9 0.1 1.0
CD2 C:HIS65 3.2 0.4 1.0
CB C:CYS42 3.4 0.1 1.0
CG2 C:THR44 3.6 0.1 1.0
CB C:CYS152 3.7 0.2 1.0
ND1 C:HIS65 4.0 0.5 1.0
CA C:THR44 4.2 0.6 1.0
CG C:HIS65 4.2 0.2 1.0
N C:THR44 4.3 0.8 1.0
OE2 C:GLU66 4.3 1.0 1.0
CE3 C:TRP91 4.7 0.6 1.0
CA C:CYS42 4.9 0.4 1.0

Zinc binding site 6 out of 8 in 6z42

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Zinc binding site 6 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn402

b:86.8
occ:0.50
 SG C:CYS102 2.2 0.0 1.0
SG C:CYS96 2.2 0.2 1.0
SG C:CYS99 2.4 99.5 1.0
SG C:CYS110 2.4 0.3 1.0
CB C:CYS102 3.1 0.7 1.0
CB C:CYS96 3.1 0.4 1.0
N C:GLY97 3.1 0.2 1.0
N C:CYS96 3.2 0.8 1.0
CB C:CYS110 3.3 1.0 1.0
N C:CYS99 3.3 99.0 1.0
CB C:CYS99 3.4 97.8 1.0
CA C:CYS96 3.4 0.2 1.0
C C:CYS96 3.5 0.9 1.0
N C:HIS98 3.6 0.9 1.0
CA C:CYS99 3.9 97.5 1.0
CA C:GLY97 4.1 1.0 1.0
CA C:CYS110 4.2 0.4 1.0
CA C:CYS102 4.3 1.0 1.0
N C:CYS102 4.3 0.3 1.0
C C:GLY97 4.3 0.3 1.0
C C:THR95 4.4 0.7 1.0
CB C:THR95 4.4 0.2 1.0
C C:HIS98 4.4 0.5 1.0
O C:CYS96 4.4 0.8 1.0
O C:CYS99 4.5 98.0 1.0
C C:CYS99 4.6 96.9 1.0
CA C:HIS98 4.6 0.3 1.0
OG1 C:THR95 4.7 0.7 1.0
CA C:THR95 4.9 0.2 1.0

Zinc binding site 7 out of 8 in 6z42

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Zinc binding site 7 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn401

b:0.6
occ:1.00
 NE2 D:HIS65 2.0 0.9 1.0
SG D:CYS42 2.3 0.6 1.0
SG D:CYS152 2.3 0.0 1.0
CB D:CYS42 2.6 0.2 1.0
CE1 D:HIS65 2.8 1.0 1.0
OE2 D:GLU66 2.8 0.5 1.0
CB D:CYS152 2.9 0.6 1.0
OG1 D:THR44 3.0 0.5 1.0
CD2 D:HIS65 3.1 0.0 1.0
CB D:THR44 3.8 0.1 1.0
CD D:GLU66 4.0 0.7 1.0
ND1 D:HIS65 4.0 0.1 1.0
CA D:CYS42 4.1 0.0 1.0
CG D:HIS65 4.2 0.8 1.0
CA D:CYS152 4.4 0.4 1.0
NH2 D:ARG335 4.6 0.4 1.0
CG D:GLU66 4.6 0.5 1.0
N D:THR44 4.8 0.7 1.0
CG2 D:THR44 4.8 0.9 1.0
N D:CYS42 4.8 0.2 1.0
C D:CYS152 4.8 0.6 1.0
OE1 D:GLU66 4.9 0.6 1.0
C D:CYS42 4.9 0.8 1.0
CA D:THR44 4.9 0.3 1.0

Zinc binding site 8 out of 8 in 6z42

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Zinc binding site 8 out of 8 in the The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of The Low Resolution Structure of A Zinc-Dependent Alcohol Dehydrogenase From Halomonas Elongata. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn402

b:78.2
occ:0.50
 SG D:CYS99 2.1 96.8 1.0
SG D:CYS102 2.2 90.7 1.0
SG D:CYS96 2.3 0.0 1.0
SG D:CYS110 2.3 93.8 1.0
CB D:CYS102 3.2 90.2 1.0
CB D:CYS110 3.2 94.2 1.0
CB D:CYS96 3.3 0.6 1.0
CB D:CYS99 3.3 95.9 1.0
N D:CYS96 3.5 0.7 1.0
N D:CYS99 3.5 95.7 1.0
N D:GLY97 3.6 0.4 1.0
CA D:CYS96 3.7 0.1 1.0
CA D:CYS110 3.9 94.0 1.0
C D:CYS96 3.9 0.8 1.0
CA D:CYS99 3.9 95.5 1.0
N D:HIS98 4.0 0.2 1.0
N D:CYS102 4.1 90.1 1.0
CA D:CYS102 4.2 90.3 1.0
O D:CYS99 4.4 95.9 1.0
CA D:GLY97 4.5 0.2 1.0
C D:CYS99 4.5 95.6 1.0
CB D:THR95 4.6 95.8 1.0
C D:HIS98 4.6 0.2 1.0
N D:GLU111 4.7 0.1 1.0
C D:THR95 4.7 95.3 1.0
C D:CYS110 4.7 94.1 1.0
C D:GLY97 4.8 0.4 1.0
O D:CYS96 4.9 0.4 1.0
CA D:HIS98 4.9 0.5 1.0

Reference:

M.L.Contente, N.Fiore, P.Cannazza, F.Molinari, L.J.Gourlay, F.Paradisi. Novel Halo-Tolerant Biocatalyst Displaying Alcohol and Aldehyde Dehydrogenase Activity To Be Published.
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