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Zinc in PDB 1hso: Human Alpha Alcohol Dehydrogenase (ADH1A)

Enzymatic activity of Human Alpha Alcohol Dehydrogenase (ADH1A)

All present enzymatic activity of Human Alpha Alcohol Dehydrogenase (ADH1A):
1.1.1.1;

Protein crystallography data

The structure of Human Alpha Alcohol Dehydrogenase (ADH1A), PDB code: 1hso was solved by M.S.Niederhut, B.J.Gibbons, S.Perez-Miller, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.700, 100.200, 69.100, 90.00, 104.90, 90.00
R / Rfree (%) 24.8 / 19.1

Other elements in 1hso:

The structure of Human Alpha Alcohol Dehydrogenase (ADH1A) also contains other interesting chemical elements:

Iodine (I) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Alpha Alcohol Dehydrogenase (ADH1A) (pdb code 1hso). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Human Alpha Alcohol Dehydrogenase (ADH1A), PDB code: 1hso:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1hso

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Zinc binding site 1 out of 4 in the Human Alpha Alcohol Dehydrogenase (ADH1A)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Alpha Alcohol Dehydrogenase (ADH1A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1375

b:27.4
occ:1.00
SG A:CYS97 2.2 19.5 1.0
SG A:CYS111 2.3 24.9 1.0
SG A:CYS100 2.3 13.7 1.0
SG A:CYS103 2.4 21.9 1.0
CB A:CYS111 3.2 11.7 1.0
CB A:CYS100 3.3 18.3 1.0
CB A:CYS103 3.3 17.0 1.0
CB A:CYS97 3.4 19.4 1.0
N A:CYS97 3.5 18.1 1.0
CA A:CYS111 3.8 19.2 1.0
N A:GLY98 3.8 21.8 1.0
N A:CYS100 3.9 19.5 1.0
CA A:CYS97 3.9 22.7 1.0
N A:LEU112 3.9 22.1 1.0
CA A:CYS100 4.2 19.1 1.0
N A:CYS103 4.2 16.3 1.0
C A:CYS97 4.3 22.1 1.0
C A:CYS111 4.3 20.8 1.0
CA A:CYS103 4.3 17.3 1.0
N A:LYS99 4.4 17.3 1.0
C A:GLN96 4.4 13.7 1.0
CA A:GLN96 4.8 14.4 1.0
CA A:GLY98 4.8 21.5 1.0
N A:LYS113 4.8 17.3 1.0
C A:LYS99 4.9 18.3 1.0
C A:CYS100 4.9 18.0 1.0

Zinc binding site 2 out of 4 in 1hso

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Zinc binding site 2 out of 4 in the Human Alpha Alcohol Dehydrogenase (ADH1A)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Alpha Alcohol Dehydrogenase (ADH1A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1376

b:24.7
occ:1.00
NE2 A:HIS67 2.1 16.1 1.0
SG A:CYS174 2.2 16.9 1.0
O A:HOH467 2.2 19.5 1.0
SG A:CYS46 2.4 12.8 1.0
CD2 A:HIS67 3.1 18.0 1.0
CE1 A:HIS67 3.1 18.5 1.0
C5N A:NAD1377 3.2 10.1 1.0
CB A:CYS46 3.3 7.4 1.0
CB A:CYS174 3.5 9.8 1.0
C6N A:NAD1377 3.8 7.6 1.0
OG1 A:THR48 3.8 17.6 1.0
CB A:THR48 3.9 18.6 1.0
C4N A:NAD1377 4.0 11.4 1.0
ND1 A:HIS67 4.3 21.9 1.0
CG A:HIS67 4.3 18.6 1.0
CG2 A:THR48 4.7 14.4 1.0
CA A:CYS46 4.7 8.3 1.0
N A:THR48 4.8 13.3 1.0
CA A:CYS174 4.8 13.2 1.0
N1N A:NAD1377 4.9 5.2 1.0
OE2 A:GLU68 5.0 11.7 1.0

Zinc binding site 3 out of 4 in 1hso

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Zinc binding site 3 out of 4 in the Human Alpha Alcohol Dehydrogenase (ADH1A)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Alpha Alcohol Dehydrogenase (ADH1A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2375

b:28.9
occ:1.00
SG B:CYS103 2.2 16.3 1.0
SG B:CYS97 2.3 28.0 1.0
SG B:CYS100 2.3 23.3 1.0
SG B:CYS111 2.3 26.0 1.0
CB B:CYS103 3.1 22.8 1.0
CB B:CYS111 3.2 17.5 1.0
CB B:CYS100 3.3 20.6 1.0
N B:CYS97 3.4 28.1 1.0
CB B:CYS97 3.5 23.0 1.0
N B:GLY98 3.7 24.1 1.0
CA B:CYS111 3.8 19.5 1.0
CA B:CYS97 3.9 24.8 1.0
N B:CYS100 3.9 25.5 1.0
N B:LEU112 4.0 18.8 1.0
CA B:CYS100 4.2 24.3 1.0
N B:CYS103 4.2 17.1 1.0
C B:CYS97 4.2 26.2 1.0
CA B:CYS103 4.2 21.2 1.0
C B:GLN96 4.4 29.3 1.0
C B:CYS111 4.4 19.5 1.0
N B:LYS99 4.4 21.4 1.0
CA B:GLN96 4.6 27.2 1.0
CA B:GLY98 4.7 21.1 1.0
O B:CYS100 4.9 24.8 1.0
C B:CYS100 4.9 23.4 1.0
C B:GLY98 5.0 22.0 1.0
N B:LYS113 5.0 24.2 1.0
C B:LYS99 5.0 25.9 1.0

Zinc binding site 4 out of 4 in 1hso

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Zinc binding site 4 out of 4 in the Human Alpha Alcohol Dehydrogenase (ADH1A)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Human Alpha Alcohol Dehydrogenase (ADH1A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn2376

b:30.1
occ:1.00
NE2 B:HIS67 2.1 24.5 1.0
SG B:CYS174 2.1 25.7 1.0
O B:HOH723 2.4 35.0 1.0
SG B:CYS46 2.5 22.7 1.0
CD2 B:HIS67 3.0 25.6 1.0
CE1 B:HIS67 3.1 19.2 1.0
C5N B:NAD2377 3.3 22.2 1.0
CB B:CYS46 3.4 21.0 1.0
CB B:CYS174 3.4 28.3 1.0
C6N B:NAD2377 3.9 21.9 1.0
OG1 B:THR48 4.0 16.2 1.0
CB B:THR48 4.0 20.5 1.0
C4N B:NAD2377 4.0 23.9 1.0
CG B:HIS67 4.1 25.6 1.0
ND1 B:HIS67 4.2 22.2 1.0
CG2 B:THR48 4.7 27.3 1.0
CA B:CYS174 4.8 21.5 1.0
CA B:CYS46 4.9 19.8 1.0
N B:GLY175 4.9 17.5 1.0
N1N B:NAD2377 5.0 22.9 1.0

Reference:

M.S.Niederhut, B.J.Gibbons, S.Perez-Miller, T.D.Hurley. Three-Dimensional Structures of the Three Human Class I Alcohol Dehydrogenases. Protein Sci. V. 10 697 2001.
ISSN: ISSN 0961-8368
PubMed: 11274460
DOI: 10.1110/PS.45001
Page generated: Wed Dec 16 02:51:42 2020

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