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Zinc in PDB 1u3w: Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution

Enzymatic activity of Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution:
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution, PDB code: 1u3w was solved by B.J.Gibbons, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.36 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.361, 67.125, 92.725, 90.00, 103.75, 90.00
R / Rfree (%) 18.4 / 21.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution (pdb code 1u3w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution, PDB code: 1u3w:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1u3w

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Zinc binding site 1 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution


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 Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:16.4
occ:1.00
 SG A:CYS103 2.3 15.8 1.0
SG A:CYS111 2.4 14.7 1.0
SG A:CYS97 2.4 17.1 1.0
SG A:CYS100 2.4 16.6 1.0
CB A:CYS111 3.3 16.2 1.0
CB A:CYS97 3.3 18.2 1.0
CB A:CYS103 3.4 15.2 1.0
CB A:CYS100 3.4 17.4 1.0
N A:CYS97 3.5 15.0 1.0
CA A:CYS111 3.8 14.4 1.0
N A:LEU112 3.8 14.9 1.0
CA A:CYS97 3.9 15.8 1.0
N A:GLY98 3.9 14.5 1.0
N A:CYS100 3.9 18.9 1.0
N A:CYS103 4.1 16.2 1.0
C A:CYS111 4.2 15.9 1.0
CA A:CYS100 4.2 17.2 1.0
CA A:CYS103 4.3 16.7 1.0
C A:CYS97 4.3 15.8 1.0
N A:LYS99 4.5 18.4 1.0
C A:GLN96 4.6 15.8 1.0
N A:LYS113 4.9 15.4 1.0
C A:CYS100 4.9 18.2 1.0
CA A:GLN96 4.9 15.8 1.0
O A:CYS100 4.9 16.9 1.0
O A:HOH1831 5.0 41.9 1.0
CA A:LEU112 5.0 18.1 1.0
CA A:GLY98 5.0 16.3 1.0

Zinc binding site 2 out of 4 in 1u3w

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Zinc binding site 2 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution


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 Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:19.4
occ:1.00
 NE2 A:HIS67 2.0 19.0 1.0
SG A:CYS174 2.0 15.6 1.0
O10 A:FXY1378 2.3 25.8 1.0
SG A:CYS46 2.3 16.0 1.0
C9 A:FXY1378 2.8 21.0 1.0
CD2 A:HIS67 2.9 17.4 1.0
CE1 A:HIS67 3.1 19.1 1.0
CB A:CYS46 3.2 17.7 1.0
C5N A:NAD1377 3.3 15.8 1.0
CB A:CYS174 3.4 13.4 1.0
C6N A:NAD1377 4.0 15.1 1.0
OG A:SER48 4.0 16.7 1.0
N8 A:FXY1378 4.0 26.0 1.0
CB A:SER48 4.1 16.3 1.0
C4N A:NAD1377 4.1 16.6 1.0
CG A:HIS67 4.1 16.9 1.0
ND1 A:HIS67 4.2 16.9 1.0
NH2 A:ARG369 4.3 19.2 1.0
OE2 A:GLU68 4.6 19.7 1.0
CA A:CYS46 4.7 14.0 1.0
CA A:CYS174 4.8 16.4 1.0
C1 A:FXY1378 4.9 28.3 1.0
CE1 A:PHE93 4.9 13.8 1.0
N A:GLY175 4.9 15.4 1.0

Zinc binding site 3 out of 4 in 1u3w

Go back to Zinc Binding Sites List in 1u3w
Zinc binding site 3 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution


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 Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:25.2
occ:1.00
 SG B:CYS97 2.3 24.5 1.0
SG B:CYS103 2.3 25.1 1.0
SG B:CYS100 2.3 24.4 1.0
SG B:CYS111 2.5 23.4 1.0
CB B:CYS103 3.3 25.1 1.0
CB B:CYS100 3.4 24.8 1.0
CB B:CYS97 3.4 27.2 1.0
CB B:CYS111 3.4 21.6 1.0
N B:CYS97 3.6 24.4 1.0
CA B:CYS111 3.8 22.6 1.0
N B:CYS100 3.9 27.0 1.0
CA B:CYS97 3.9 26.2 1.0
N B:GLY98 4.0 27.5 1.0
N B:LEU112 4.0 24.4 1.0
CA B:CYS100 4.2 25.8 1.0
N B:CYS103 4.2 23.9 1.0
C B:CYS97 4.3 27.4 1.0
CA B:CYS103 4.3 25.6 1.0
C B:CYS111 4.3 22.9 1.0
N B:LYS99 4.5 30.1 1.0
C B:GLN96 4.6 25.1 1.0
C B:CYS100 4.9 24.5 1.0
CA B:GLN96 4.9 24.1 1.0
O B:CYS100 4.9 23.5 1.0
N B:LYS113 4.9 26.4 1.0
CA B:GLY98 5.0 28.6 1.0

Zinc binding site 4 out of 4 in 1u3w

Go back to Zinc Binding Sites List in 1u3w
Zinc binding site 4 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:24.1
occ:1.00
 NE2 B:HIS67 2.1 26.8 1.0
SG B:CYS174 2.1 21.1 1.0
O10 B:FXY2378 2.2 29.3 1.0
SG B:CYS46 2.3 21.1 1.0
C9 B:FXY2378 2.9 31.9 1.0
CD2 B:HIS67 3.0 24.8 1.0
CE1 B:HIS67 3.1 22.6 1.0
CB B:CYS46 3.2 21.9 1.0
C5N B:NAD2377 3.3 20.1 1.0
CB B:CYS174 3.4 20.7 1.0
OG B:SER48 4.0 22.2 1.0
C6N B:NAD2377 4.0 18.9 1.0
N8 B:FXY2378 4.1 32.5 1.0
CB B:SER48 4.1 22.9 1.0
CG B:HIS67 4.2 22.2 1.0
C4N B:NAD2377 4.2 17.6 1.0
ND1 B:HIS67 4.2 24.3 1.0
NH2 B:ARG369 4.3 21.2 1.0
OE2 B:GLU68 4.6 24.3 1.0
CA B:CYS174 4.7 21.3 1.0
CA B:CYS46 4.7 20.9 1.0
C1 B:FXY2378 4.9 37.1 1.0
N B:GLY175 4.9 19.7 1.0
CE1 B:PHE93 4.9 20.4 1.0
C B:CYS174 5.0 19.7 1.0
N B:SER48 5.0 21.2 1.0

Reference:

B.J.Gibbons, T.D.Hurley. Structure of Three Class I Human Alcohol Dehydrogenases Complexed with Isoenzyme Specific Formamide Inhibitors Biochemistry V. 43 12555 2004.
ISSN: ISSN 0006-2960
PubMed: 15449945
DOI: 10.1021/BI0489107
Page generated: Wed Oct 16 19:26:15 2024

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