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Zinc in PDB 1adf: Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin

Enzymatic activity of Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin

All present enzymatic activity of Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin:
1.1.1.1;

Protein crystallography data

The structure of Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin, PDB code: 1adf was solved by H.Li, W.A.Hallows, J.S.Punzi, V.E.Marquez, H.L.Carrell, K.W.Pankiewicz, K.A.Watanabe, B.M.Goldstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 56.300, 75.400, 181.700, 90.00, 90.00, 90.00
R / Rfree (%) 15 / n/a

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin (pdb code 1adf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin, PDB code: 1adf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1adf

Go back to Zinc Binding Sites List in 1adf
Zinc binding site 1 out of 2 in the Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn376

b:10.7
occ:1.00
 O A:HOH379 1.6 13.0 1.0
NE2 A:HIS67 2.1 6.0 1.0
SG A:CYS46 2.1 4.4 1.0
SG A:CYS174 2.2 2.8 1.0
H1 A:HOH379 2.4 15.0 1.0
H2 A:HOH379 2.4 15.0 1.0
CE1 A:HIS67 3.0 6.1 1.0
CD2 A:HIS67 3.1 4.7 1.0
OG A:SER48 3.1 6.2 1.0
CB A:CYS46 3.4 5.8 1.0
CB A:CYS174 3.7 8.2 1.0
CB A:SER48 3.9 7.5 1.0
HG A:SER48 4.0 15.0 1.0
H A:SER48 4.0 15.0 1.0
ND1 A:HIS67 4.1 4.2 1.0
CG A:HIS67 4.2 4.6 1.0
HH22 A:ARG369 4.4 15.0 1.0
CA A:CYS46 4.8 4.5 1.0
N A:SER48 4.8 3.7 1.0
CE2 A:PHE93 4.9 13.7 1.0
HH21 A:ARG369 5.0 15.0 1.0
CA A:SER48 5.0 5.1 1.0
HD1 A:HIS67 5.0 15.0 1.0

Zinc binding site 2 out of 2 in 1adf

Go back to Zinc Binding Sites List in 1adf
Zinc binding site 2 out of 2 in the Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogs of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn377

b:13.8
occ:1.00
 SG A:CYS97 2.1 11.8 1.0
SG A:CYS103 2.2 6.5 1.0
SG A:CYS100 2.2 11.8 1.0
SG A:CYS111 2.4 12.0 1.0
CB A:CYS103 3.4 7.0 1.0
CB A:CYS97 3.5 9.0 1.0
CB A:CYS100 3.5 9.8 1.0
CB A:CYS111 3.5 7.4 1.0
H A:LEU112 3.6 15.0 1.0
H A:CYS97 3.6 15.0 1.0
H A:CYS100 3.6 15.0 1.0
N A:LEU112 3.8 8.4 1.0
N A:CYS97 3.8 7.2 1.0
CA A:CYS111 3.9 8.6 1.0
N A:CYS100 3.9 12.4 1.0
CA A:CYS97 4.0 8.4 1.0
H A:CYS103 4.2 15.0 1.0
N A:CYS103 4.2 7.3 1.0
C A:CYS97 4.2 9.0 1.0
CA A:CYS103 4.3 6.8 1.0
N A:GLY98 4.3 11.5 1.0
C A:CYS111 4.3 8.9 1.0
CA A:CYS100 4.3 11.6 1.0
H A:GLY98 4.4 15.0 1.0
HZ1 A:LYS113 4.4 15.0 1.0
O A:HOH398 4.5 7.6 1.0
H A:LYS99 4.6 15.0 1.0
H A:LYS113 4.6 15.0 1.0
CA A:LEU112 4.7 11.1 1.0
N A:LYS99 4.7 16.2 1.0
CB A:LEU112 4.7 10.6 1.0
C A:GLN96 4.8 5.8 1.0
O A:CYS97 4.8 10.5 1.0
N A:LYS113 4.9 9.8 1.0
C A:GLY98 5.0 16.3 1.0
C A:CYS100 5.0 13.4 1.0
C A:LYS99 5.0 14.0 1.0
CG A:LYS113 5.0 14.2 1.0

Reference:

H.Li, W.H.Hallows, J.S.Punzi, V.E.Marquez, H.L.Carrell, K.W.Pankiewicz, K.A.Watanabe, B.M.Goldstein. Crystallographic Studies of Two Alcohol Dehydrogenase-Bound Analogues of Thiazole-4-Carboxamide Adenine Dinucleotide (Tad), the Active Anabolite of the Antitumor Agent Tiazofurin. Biochemistry V. 33 23 1994.
ISSN: ISSN 0006-2960
PubMed: 8286346
DOI: 10.1021/BI00167A004
Page generated: Sat Oct 12 21:59:14 2024

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