Phosphorus in PDB 151d: Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes

The structure of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes, PDB code: 151d was solved by L.A.Lipscomb, M.E.Peek, F.X.Zhou, J.A.Bertrand, D.Vanderveer, L.D.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	27.920, 27.920, 52.390, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Phosphorus atom in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes (pdb code 151d). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 5 binding sites of Phosphorus where determined in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes, PDB code: 151d:
Jump to Phosphorus binding site number: 1; 2; 3; 4; 5;

Phosphorus binding site 1 out of 5 in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:P2 b:8.0 occ:1.00 P A:DG2 0.0 8.0 1.0 OP2 A:DG2 1.4 7.3 1.0 OP1 A:DG2 1.5 8.1 1.0 O3' A:DC1 1.6 6.3 1.0 O5' A:DG2 1.7 7.3 1.0 C5' A:DG2 2.6 7.5 1.0 C3' A:DC1 2.6 6.5 1.0 O A:HOH35 3.6 22.8 1.0 O A:HOH23 3.6 26.6 1.0 O A:HOH48 3.7 63.2 1.0 O A:HOH19 3.7 26.6 1.0 C4' A:DC1 3.7 6.0 1.0 C2' A:DC1 3.8 6.3 1.0 C4' A:DG2 3.9 7.9 1.0 O4' A:DG2 4.3 7.4 1.0 C3' A:DG2 4.4 8.6 1.0 C1' A:DC1 4.5 5.9 1.0 O4' A:DC1 4.6 6.1 1.0 C5' A:DC1 4.7 6.2 1.0 C2' A:DG2 4.8 7.9 1.0

Phosphorus binding site 2 out of 5 in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:P3 b:12.2 occ:1.00 P A:DA3 0.0 12.2 1.0 OP1 A:DA3 1.4 11.8 1.0 OP2 A:DA3 1.5 12.6 1.0 O3' A:DG2 1.6 10.9 1.0 O5' A:DA3 1.6 10.2 1.0 C5' A:DA3 2.5 8.8 1.0 C3' A:DG2 2.7 8.6 1.0 O A:HOH14 3.4 20.1 1.0 C2' A:DG2 3.6 7.9 1.0 O A:HOH42 3.6 30.0 1.0 C4' A:DA3 3.7 8.0 1.0 O A:HOH41 3.8 23.3 1.0 O A:HOH22 3.8 38.3 1.0 C4' A:DG2 3.8 7.9 1.0 O4' A:DA3 3.9 7.2 1.0 O A:HOH20 3.9 42.5 1.0 C8 A:DA3 4.2 5.3 1.0 C3' A:DA3 4.4 8.3 1.0 C1' A:DG2 4.4 7.2 1.0 C2' A:DA3 4.7 7.6 1.0 O4' A:DG2 4.8 7.4 1.0 C1' A:DA3 4.8 6.8 1.0 C5' A:DG2 4.9 7.5 1.0 N9 A:DA3 4.9 5.8 1.0

Phosphorus binding site 3 out of 5 in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:P4 b:9.5 occ:1.00 P A:DT4 0.0 9.5 1.0 OP1 A:DT4 1.4 9.4 1.0 OP2 A:DT4 1.4 10.3 1.0 O3' A:DA3 1.6 8.5 1.0 O5' A:DT4 1.7 8.2 1.0 C5' A:DT4 2.6 7.7 1.0 C3' A:DA3 2.7 8.3 1.0 C2' A:DA3 3.3 7.6 1.0 O A:HOH49 3.7 18.6 1.0 O A:HOH24 3.8 12.9 1.0 C4' A:DT4 3.9 7.5 1.0 C4' A:DA3 3.9 8.0 1.0 O A:HOH36 4.0 21.3 1.0 C1' A:DA3 4.3 6.8 1.0 O4' A:DT4 4.3 8.2 1.0 C3' A:DT4 4.4 7.5 1.0 O4' A:DA3 4.7 7.2 1.0 O A:HOH27 4.7 27.7 1.0 O A:HOH65 5.0 10.2 1.0 C2' A:DT4 5.0 6.8 1.0

Phosphorus binding site 4 out of 5 in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:P5 b:9.6 occ:1.00 P A:DC5 0.0 9.6 1.0 OP2 A:DC5 1.4 10.3 1.0 OP1 A:DC5 1.4 11.1 1.0 O3' A:DT4 1.6 8.7 1.0 O5' A:DC5 1.7 9.1 1.0 C5' A:DC5 2.6 8.4 1.0 C3' A:DT4 2.6 7.5 1.0 C2' A:DT4 3.3 6.8 1.0 O A:HOH39 3.7 28.9 1.0 O A:HOH37 3.7 21.4 1.0 C4' A:DT4 3.8 7.5 1.0 C4' A:DC5 3.8 9.2 1.0 O A:HOH28 4.2 23.3 1.0 O4' A:DC5 4.3 8.4 1.0 C3' A:DC5 4.3 9.3 1.0 C1' A:DT4 4.4 6.9 1.0 C2' A:DC5 4.6 9.0 1.0 O4' A:DT4 4.8 8.2 1.0 C5' A:DT4 4.8 7.7 1.0

Phosphorus binding site 5 out of 5 in the Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 5 of Diversity of Water Ring Size at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:P6 b:10.9 occ:1.00 P A:DG6 0.0 10.9 1.0 OP1 A:DG6 1.4 10.2 1.0 OP2 A:DG6 1.5 10.0 1.0 O5' A:DG6 1.6 8.8 1.0 O3' A:DC5 1.6 10.7 1.0 C3' A:DC5 2.7 9.3 1.0 C5' A:DG6 2.7 8.2 1.0 C4' A:DC5 3.5 9.2 1.0 O A:HOH30 3.8 46.8 1.0 O A:HOH18 3.8 29.1 1.0 C2' A:DC5 3.8 9.0 1.0 C4' A:DG6 3.9 8.2 1.0 O A:HOH43 3.9 19.9 1.0 C8 A:DG6 4.2 6.1 1.0 O A:HOH32 4.3 42.4 1.0 C3' A:DG6 4.4 7.2 1.0 O4' A:DG6 4.4 7.7 1.0 C2' A:DG6 4.5 7.1 1.0 C5' A:DC5 4.5 8.4 1.0 O A:HOH67 4.5 28.8 1.0 C1' A:DC5 4.5 8.2 1.0 O4' A:DC5 4.6 8.4 1.0 N9 A:DG6 4.8 6.4 1.0 O5' A:DC5 4.9 9.1 1.0 C1' A:DG6 4.9 6.6 1.0 N7 A:DG6 5.0 6.6 1.0

L.A.Lipscomb, M.E.Peek, F.X.Zhou, J.A.Bertrand, D.Vanderveer, L.D.Williams. Water Ring Structure at Dna Interfaces: Hydration and Dynamics of Dna-Anthracycline Complexes. Biochemistry V. 33 3649 1994.
ISSN: ISSN 0006-2960
PubMed: 8142363
DOI: 10.1021/BI00178A023