Phosphorus 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

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 1adf). 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: 1adf:
Jump to Phosphorus binding site number: 1; 2;

Phosphorus binding site 1 out of 2 in 1adf

Go back to Phosphorus Binding Sites List in 1adf
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:27.3
occ:1.00
 PA A:TAD378 0.0 27.3 1.0
O2A A:TAD378 1.5 27.6 1.0
O1A A:TAD378 1.5 26.1 1.0
O5B A:TAD378 1.6 25.9 1.0
C3 A:TAD378 1.8 29.4 1.0
C5B A:TAD378 2.7 21.4 1.0
PN A:TAD378 3.1 32.1 1.0
C4D A:TAD378 3.3 23.1 1.0
O2N A:TAD378 3.3 31.5 1.0
HH21 A:ARG47 3.5 15.0 1.0
C4B A:TAD378 3.6 17.6 1.0
C5D A:TAD378 3.7 25.1 1.0
C3B A:TAD378 3.8 16.9 1.0
O5D A:TAD378 3.8 29.0 1.0
O4D A:TAD378 3.9 23.0 1.0
HO3N A:TAD378 4.0 15.0 1.0
O3D A:TAD378 4.2 27.3 1.0
NH2 A:ARG47 4.2 15.4 1.0
O1N A:TAD378 4.3 30.6 1.0
C3D A:TAD378 4.4 23.0 1.0
HE A:ARG47 4.5 15.0 1.0
HH22 A:ARG47 4.5 15.0 1.0
O3B A:TAD378 4.6 18.5 1.0
CA A:GLY201 4.7 5.8 1.0
H A:GLY201 4.7 15.0 1.0
O2D A:TAD378 4.8 21.4 1.0
O4B A:TAD378 4.9 16.2 1.0
H1 A:HOH391 4.9 15.0 1.0
C2B A:TAD378 4.9 14.8 1.0
HZ3 A:LYS228 4.9 15.0 1.0
HO2N A:TAD378 4.9 15.0 1.0

Phosphorus binding site 2 out of 2 in 1adf

Go back to Phosphorus Binding Sites List in 1adf
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:32.1
occ:1.00
 PN A:TAD378 0.0 32.1 1.0
O1N A:TAD378 1.5 30.6 1.0
O2N A:TAD378 1.5 31.5 1.0
O5D A:TAD378 1.6 29.0 1.0
C3 A:TAD378 1.8 29.4 1.0
C5D A:TAD378 2.7 25.1 1.0
O5B A:TAD378 3.0 25.9 1.0
PA A:TAD378 3.1 27.3 1.0
H A:VAL203 3.3 15.0 1.0
C4D A:TAD378 3.4 23.1 1.0
O4D A:TAD378 3.6 23.0 1.0
CA A:GLY201 3.7 5.8 1.0
O2A A:TAD378 3.9 27.6 1.0
H A:GLY201 4.0 15.0 1.0
H A:GLY202 4.0 15.0 1.0
CG2 A:VAL203 4.0 8.9 1.0
C A:GLY201 4.1 7.0 1.0
O A:VAL268 4.1 16.2 1.0
O1A A:TAD378 4.2 26.1 1.0
N A:GLY202 4.2 7.9 1.0
N A:VAL203 4.3 7.1 1.0
N A:GLY201 4.3 7.3 1.0
H A:GLY204 4.3 15.0 1.0
C5B A:TAD378 4.4 21.4 1.0
CG2 A:VAL268 4.6 16.6 1.0
CB A:VAL203 4.6 8.2 1.0
O A:GLY201 4.7 6.9 1.0
C3D A:TAD378 4.8 23.0 1.0
S1N A:TAD378 4.8 25.4 1.0
C4B A:TAD378 5.0 17.6 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: Fri Sep 25 12:46:08 2020

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