Atomistry » Zinc » PDB 1u2n-1uip » 1u3t
Atomistry »
  Zinc »
    PDB 1u2n-1uip »
      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

Mg in 5NDH
Mg in 5ND7
Mg in 5ND4
Mg in 5ND5
Mg in 5ND3
Mg in 5N96
Mg in 5ND2
Mg in 5N9X
Mg in 5MX2
Mg in 5N78
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy