Phosphorus 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

Phosphorus Binding Sites:

The binding sites of Phosphorus 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 Phosphorus atom.
In total 2 binding sites of Phosphorus 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 Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in 1adg

Go back to Phosphorus Binding Sites List in 1adg
Phosphorus 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 Phosphorus with other atoms in the P 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:P378

b:28.0
occ:1.00
PA A:SAD378 0.0 28.0 1.0
O1A A:SAD378 1.5 26.3 1.0
O2A A:SAD378 1.5 26.1 1.0
O5B A:SAD378 1.6 25.0 1.0
C3 A:SAD378 1.8 26.8 1.0
C5B A:SAD378 2.7 22.8 1.0
PN A:SAD378 3.1 27.0 1.0
O2N A:SAD378 3.4 28.1 1.0
C4D A:SAD378 3.5 19.7 1.0
C4B A:SAD378 3.5 19.7 1.0
C3B A:SAD378 3.5 18.9 1.0
H2 A:HOH404 3.7 15.0 1.0
O5D A:SAD378 3.8 26.2 1.0
C5D A:SAD378 3.9 22.4 1.0
O A:HOH404 4.0 21.7 1.0
O3D A:SAD378 4.1 18.0 1.0
HO3N A:SAD378 4.1 15.0 1.0
O3B A:SAD378 4.2 16.7 1.0
O1N A:SAD378 4.2 26.4 1.0
CA A:GLY201 4.3 3.3 1.0
O4D A:SAD378 4.4 19.1 1.0
C3D A:SAD378 4.4 18.6 1.0
HZ1 A:LYS228 4.5 15.0 1.0
H A:GLY201 4.6 15.0 1.0
HO3A A:SAD378 4.7 15.0 1.0
N A:GLY201 4.7 6.3 1.0
C2B A:SAD378 4.7 16.3 1.0
HZ2 A:LYS228 4.7 15.0 1.0
O4B A:SAD378 4.8 18.4 1.0
H1 A:HOH404 4.9 15.0 1.0
HZ3 A:LYS228 4.9 15.0 1.0
NZ A:LYS228 4.9 26.5 1.0

Phosphorus binding site 2 out of 2 in 1adg

Go back to Phosphorus Binding Sites List in 1adg
Phosphorus 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 Phosphorus with other atoms in the P 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:P378

b:27.0
occ:1.00
PN A:SAD378 0.0 27.0 1.0
O1N A:SAD378 1.5 26.4 1.0
O2N A:SAD378 1.5 28.1 1.0
O5D A:SAD378 1.6 26.2 1.0
C3 A:SAD378 1.8 26.8 1.0
C5D A:SAD378 2.6 22.4 1.0
O5B A:SAD378 3.1 25.0 1.0
PA A:SAD378 3.1 28.0 1.0
H A:VAL203 3.2 15.0 1.0
C4D A:SAD378 3.4 19.7 1.0
CG2 A:VAL203 3.7 7.7 1.0
O A:HOH404 3.7 21.7 1.0
O2A A:SAD378 3.7 26.1 1.0
H A:GLY202 3.7 15.0 1.0
CA A:GLY201 3.8 3.3 1.0
H2 A:HOH404 3.9 15.0 1.0
O4D A:SAD378 3.9 19.1 1.0
H A:GLY201 3.9 15.0 1.0
C A:GLY201 4.0 3.7 1.0
N A:GLY202 4.0 3.6 1.0
N A:VAL203 4.1 7.8 1.0
O1A A:SAD378 4.2 26.3 1.0
CB A:VAL203 4.3 10.0 1.0
N A:GLY201 4.3 6.3 1.0
H A:GLY204 4.3 15.0 1.0
H1 A:HOH380 4.4 15.0 1.0
O A:HOH380 4.4 26.9 1.0
C5B A:SAD378 4.5 22.8 1.0
H1 A:HOH404 4.5 15.0 1.0
CG1 A:VAL268 4.6 11.9 1.0
O A:VAL268 4.6 13.2 1.0
O A:GLY201 4.6 3.3 1.0
C3D A:SAD378 4.7 18.6 1.0
CA A:VAL203 4.8 9.1 1.0
H2 A:HOH380 4.9 15.0 1.0
HO3N A:SAD378 4.9 15.0 1.0
CA A:GLY202 4.9 3.4 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: Fri Sep 25 12:46:10 2020

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