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Zinc in PDB 1adg: 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: 1adg 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 / 2.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 56.300, 75.200, 182.300, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 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 1adg). 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: 1adg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1adg

Go back to Zinc Binding Sites List in 1adg
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:13.9
occ:1.00
O A:HOH388 1.6 2.5 1.0
NE2 A:HIS67 2.0 7.9 1.0
SG A:CYS174 2.0 4.6 1.0
H1 A:HOH388 2.4 15.0 1.0
H2 A:HOH388 2.5 15.0 1.0
SG A:CYS46 2.7 5.9 1.0
CD2 A:HIS67 2.9 6.0 1.0
CE1 A:HIS67 2.9 7.1 1.0
CB A:CYS174 3.3 8.2 1.0
OG A:SER48 3.4 10.0 1.0
ND1 A:HIS67 4.0 6.7 1.0
CG A:HIS67 4.0 6.6 1.0
CB A:CYS46 4.1 8.3 1.0
HG A:SER48 4.2 15.0 1.0
O A:HOH391 4.3 4.6 1.0
CB A:SER48 4.3 9.2 1.0
HH22 A:ARG369 4.4 15.0 1.0
H A:SER48 4.5 15.0 1.0
O A:HOH379 4.5 19.5 1.0
CA A:CYS174 4.6 6.2 1.0
H A:GLY175 4.6 15.0 1.0
N A:GLY175 4.8 6.8 1.0
H1 A:HOH391 4.8 15.0 1.0
HD1 A:HIS67 4.9 15.0 1.0
H2 A:HOH391 4.9 15.0 1.0
C A:CYS174 4.9 6.3 1.0
CE2 A:PHE93 5.0 7.9 1.0

Zinc binding site 2 out of 2 in 1adg

Go back to Zinc Binding Sites List in 1adg
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:17.5
occ:1.00
SG A:CYS97 2.3 13.3 1.0
SG A:CYS100 2.3 10.0 1.0
SG A:CYS103 2.5 7.9 1.0
SG A:CYS111 2.6 8.7 1.0
CB A:CYS97 3.4 8.7 1.0
H A:CYS97 3.4 15.0 1.0
H A:CYS100 3.5 15.0 1.0
N A:CYS97 3.6 8.1 1.0
CB A:CYS111 3.7 7.3 1.0
CB A:CYS100 3.7 6.7 1.0
CB A:CYS103 3.7 8.2 1.0
CA A:CYS97 3.9 8.1 1.0
N A:CYS100 4.0 6.6 1.0
CA A:CYS111 4.0 7.9 1.0
H A:CYS103 4.1 15.0 1.0
N A:GLY98 4.2 8.0 1.0
C A:CYS97 4.2 7.3 1.0
N A:LEU112 4.2 7.0 1.0
H A:GLY98 4.2 15.0 1.0
H A:LEU112 4.2 15.0 1.0
H A:LYS113 4.3 15.0 1.0
CA A:CYS100 4.4 6.6 1.0
H A:LYS99 4.4 15.0 1.0
C A:CYS111 4.4 8.2 1.0
N A:CYS103 4.5 7.6 1.0
N A:LYS99 4.5 10.0 1.0
CA A:CYS103 4.7 7.5 1.0
C A:GLN96 4.7 6.0 1.0
O A:CYS100 4.7 9.3 1.0
N A:LYS113 4.8 5.2 1.0
O A:CYS97 4.9 7.7 1.0
C A:CYS100 4.9 7.8 1.0
C A:GLY98 5.0 9.6 1.0
CA A:LEU112 5.0 7.5 1.0
O A:HOH400 5.0 2.6 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: Wed Dec 16 02:44:38 2020

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