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

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy