Atomistry » Zinc » PDB 1u1u-1uho » 1u3t
Atomistry »
  Zinc »
    PDB 1u1u-1uho »
      1u3t »

Zinc in PDB 1u3t: Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution

Enzymatic activity of Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution:
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution, PDB code: 1u3t 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) 30.00 / 2.49
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.000, 71.470, 92.790, 90.00, 102.84, 90.00
R / Rfree (%) 20.2 / 23.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution (pdb code 1u3t). 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 Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution, PDB code: 1u3t:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 1u3t

Go back to Zinc Binding Sites List in 1u3t
Zinc binding site 1 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 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 Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn375

b:24.5
occ:1.00
 SG A:CYS103 2.2 24.1 1.0
SG A:CYS100 2.3 24.4 1.0
SG A:CYS97 2.3 27.4 1.0
SG A:CYS111 2.3 24.9 1.0
CB A:CYS111 3.2 24.3 1.0
CB A:CYS103 3.3 24.6 1.0
CB A:CYS97 3.4 24.2 1.0
CB A:CYS100 3.5 26.4 1.0
N A:CYS97 3.5 21.8 1.0
CA A:CYS111 3.7 23.4 1.0
N A:GLY98 3.8 24.9 1.0
CA A:CYS97 3.9 23.3 1.0
N A:CYS100 3.9 29.6 1.0
N A:LEU112 4.0 27.4 1.0
N A:CYS103 4.2 23.0 1.0
CA A:CYS100 4.2 27.4 1.0
C A:CYS97 4.2 24.3 1.0
CA A:CYS103 4.3 26.5 1.0
C A:CYS111 4.3 25.6 1.0
C A:GLN96 4.4 22.1 1.0
N A:LYS99 4.5 29.2 1.0
CA A:GLN96 4.7 22.5 1.0
CA A:GLY98 4.8 26.2 1.0
O A:CYS100 4.9 27.2 1.0
C A:CYS100 4.9 27.4 1.0
N A:LYS113 4.9 30.6 1.0

Zinc binding site 2 out of 4 in 1u3t

Go back to Zinc Binding Sites List in 1u3t
Zinc binding site 2 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 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 Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:21.0
occ:1.00
 NE2 A:HIS67 2.1 22.4 1.0
SG A:CYS174 2.2 21.7 1.0
SG A:CYS46 2.3 20.1 1.0
O3 A:CCB1378 2.5 28.0 1.0
C2 A:CCB1378 2.7 26.4 1.0
CD2 A:HIS67 3.0 20.8 1.0
CB A:CYS46 3.2 20.4 1.0
CE1 A:HIS67 3.2 22.6 1.0
C5N A:NAD1377 3.4 19.2 1.0
CB A:CYS174 3.5 20.7 1.0
OG1 A:THR48 3.9 23.4 1.0
N1 A:CCB1378 4.0 26.5 1.0
C6N A:NAD1377 4.0 20.4 1.0
CB A:THR48 4.2 20.3 1.0
C4N A:NAD1377 4.2 17.5 1.0
CG A:HIS67 4.2 20.0 1.0
ND1 A:HIS67 4.3 21.5 1.0
CA A:CYS46 4.7 20.2 1.0
C6 A:CCB1378 4.7 26.5 1.0
NH2 A:ARG369 4.7 14.5 1.0
CA A:CYS174 4.8 22.1 1.0
OE2 A:GLU68 4.9 23.4 1.0
N A:GLY175 4.9 22.4 1.0
C5 A:CCB1378 5.0 25.5 1.0

Zinc binding site 3 out of 4 in 1u3t

Go back to Zinc Binding Sites List in 1u3t
Zinc binding site 3 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 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 Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn375

b:26.6
occ:1.00
 SG B:CYS111 2.2 26.4 1.0
SG B:CYS103 2.3 27.3 1.0
SG B:CYS97 2.3 28.8 1.0
SG B:CYS100 2.4 32.1 1.0
CB B:CYS100 2.7 31.7 1.0
CB B:CYS111 3.2 22.6 1.0
CB B:CYS97 3.3 25.6 1.0
CB B:CYS103 3.5 27.5 1.0
N B:CYS97 3.6 25.3 1.0
CA B:CYS111 3.7 21.8 1.0
CA B:CYS100 3.8 30.8 1.0
N B:LEU112 3.8 23.4 1.0
N B:CYS100 3.8 32.5 1.0
CA B:CYS97 3.9 26.0 1.0
N B:GLY98 4.0 27.6 1.0
C B:CYS111 4.2 22.4 1.0
N B:CYS103 4.4 26.3 1.0
C B:CYS97 4.4 27.2 1.0
CA B:CYS103 4.5 27.2 1.0
CG B:LYS113 4.5 32.0 1.0
C B:GLN96 4.6 23.3 1.0
N B:LYS113 4.7 23.6 1.0
N B:LYS99 4.7 32.2 1.0
CA B:GLN96 4.9 21.5 1.0
CA B:LEU112 4.9 25.6 1.0
C B:CYS100 5.0 28.7 1.0
N B:CYS111 5.0 20.3 1.0

Zinc binding site 4 out of 4 in 1u3t

Go back to Zinc Binding Sites List in 1u3t
Zinc binding site 4 out of 4 in the Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 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 Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn376

b:19.5
occ:1.00
 NE2 B:HIS67 2.1 17.3 1.0
O3 B:CCB2378 2.2 16.6 1.0
SG B:CYS174 2.3 20.4 1.0
SG B:CYS46 2.4 19.9 1.0
C2 B:CCB2378 2.6 14.5 1.0
CD2 B:HIS67 3.1 15.3 1.0
CE1 B:HIS67 3.1 19.8 1.0
CB B:CYS46 3.2 20.4 1.0
CB B:CYS174 3.5 16.3 1.0
C5N B:NAD2377 3.6 18.9 1.0
N1 B:CCB2378 3.9 18.8 1.0
OG1 B:THR48 4.0 13.5 1.0
CB B:THR48 4.0 15.8 1.0
C6N B:NAD2377 4.1 17.7 1.0
CG B:HIS67 4.2 17.6 1.0
ND1 B:HIS67 4.2 18.4 1.0
C4N B:NAD2377 4.3 14.9 1.0
C6 B:CCB2378 4.7 21.0 1.0
CA B:CYS46 4.7 19.8 1.0
NH2 B:ARG369 4.7 16.8 1.0
CG2 B:THR48 4.8 15.2 1.0
C5 B:CCB2378 4.8 19.4 1.0
CA B:CYS174 4.9 18.1 1.0
OE2 B:GLU68 4.9 17.4 1.0
N B:THR48 5.0 17.2 1.0
N B:GLY175 5.0 16.2 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 19:25:55 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy