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Gold in PDB 5mvb: Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand.

Other elements in 5mvb:

The structure of Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand. also contains other interesting chemical elements:

Potassium (K) 20 atoms

Gold Binding Sites:

The binding sites of Gold atom in the Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand. (pdb code 5mvb). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand., PDB code: 5mvb:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in 5mvb

Go back to Gold Binding Sites List in 5mvb
Gold binding site 1 out of 2 in the Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand.


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au103

b:1.0
occ:1.00
AU1 A:AUZ103 0.0 1.0 1.0
O2 A:AUZ103 2.0 1.0 1.0
O1 A:AUZ103 2.0 1.0 1.0
N12 A:AUZ103 2.1 1.0 1.0
N11 A:AUZ103 2.1 1.0 1.0
C52 A:AUZ103 2.9 1.0 1.0
C51 A:AUZ103 2.9 1.0 1.0
AU2 A:AUZ103 3.0 1.0 1.0
H622 A:AUZ103 3.1 1.0 1.0
C12 A:AUZ103 3.1 1.0 1.0
C11 A:AUZ103 3.1 1.0 1.0
H613 A:AUZ103 3.2 1.0 1.0
H611 A:AUZ103 3.3 1.0 1.0
C62 A:AUZ103 3.4 1.0 1.0
C61 A:AUZ103 3.4 1.0 1.0
H623 A:AUZ103 3.4 1.0 1.0
H632 A:AUZ103 4.0 1.0 1.0
H641 A:AUZ103 4.1 1.0 1.0
H1 A:DG12 4.1 1.0 1.0
N1 A:DG12 4.2 1.0 1.0
C42 A:AUZ103 4.2 1.0 1.0
C41 A:AUZ103 4.2 1.0 1.0
H642 A:AUZ103 4.3 1.0 1.0
N7 A:DA3 4.3 1.0 1.0
C6 A:DG12 4.3 1.0 1.0
C22 A:AUZ103 4.4 1.0 1.0
C21 A:AUZ103 4.4 1.0 1.0
H631 A:AUZ103 4.4 1.0 1.0
C5 A:DA3 4.4 1.0 1.0
H621 A:AUZ103 4.5 1.0 1.0
O6 A:DG12 4.5 1.0 1.0
O6 A:DG4 4.5 1.0 1.0
H612 A:AUZ103 4.5 1.0 1.0
C8 A:DA3 4.5 1.0 1.0
C2 A:DG12 4.6 1.0 1.0
C64 A:AUZ103 4.7 1.0 1.0
C63 A:AUZ103 4.7 1.0 1.0
C4 A:DA3 4.8 1.0 1.0
N14 A:AUZ103 4.8 1.0 1.0
C6 A:DG4 4.8 1.0 1.0
N13 A:AUZ103 4.8 1.0 1.0
N9 A:DA3 4.8 1.0 1.0
C32 A:AUZ103 4.8 1.0 1.0
C31 A:AUZ103 4.8 1.0 1.0
H2' A:DA3 4.8 1.0 1.0
C6 A:DA3 4.9 1.0 1.0
H8 A:DA3 4.9 1.0 1.0
C5 A:DG12 4.9 1.0 1.0

Gold binding site 2 out of 2 in 5mvb

Go back to Gold Binding Sites List in 5mvb
Gold binding site 2 out of 2 in the Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand.


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Solution Structure of A Human G-Quadruplex Hybrid-2 Form in Complex with A Gold-Ligand. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au103

b:1.0
occ:1.00
AU2 A:AUZ103 0.0 1.0 1.0
O2 A:AUZ103 2.0 1.0 1.0
O1 A:AUZ103 2.0 1.0 1.0
N14 A:AUZ103 2.1 1.0 1.0
N13 A:AUZ103 2.1 1.0 1.0
C54 A:AUZ103 2.9 1.0 1.0
C53 A:AUZ103 2.9 1.0 1.0
AU1 A:AUZ103 3.0 1.0 1.0
H632 A:AUZ103 3.0 1.0 1.0
H641 A:AUZ103 3.1 1.0 1.0
C14 A:AUZ103 3.1 1.0 1.0
C13 A:AUZ103 3.1 1.0 1.0
C64 A:AUZ103 3.4 1.0 1.0
C63 A:AUZ103 3.4 1.0 1.0
H642 A:AUZ103 3.5 1.0 1.0
H631 A:AUZ103 3.5 1.0 1.0
H622 A:AUZ103 4.0 1.0 1.0
H1 A:DG16 4.1 1.0 1.0
C44 A:AUZ103 4.2 1.0 1.0
H611 A:AUZ103 4.2 1.0 1.0
C43 A:AUZ103 4.2 1.0 1.0
H613 A:AUZ103 4.2 1.0 1.0
N1 A:DG16 4.3 1.0 1.0
H623 A:AUZ103 4.3 1.0 1.0
C24 A:AUZ103 4.4 1.0 1.0
C23 A:AUZ103 4.4 1.0 1.0
H633 A:AUZ103 4.5 1.0 1.0
H643 A:AUZ103 4.5 1.0 1.0
C6 A:DG16 4.5 1.0 1.0
O6 A:DG16 4.5 1.0 1.0
O6 A:DG12 4.6 1.0 1.0
C62 A:AUZ103 4.6 1.0 1.0
H61 A:DA3 4.6 1.0 1.0
C61 A:AUZ103 4.7 1.0 1.0
N12 A:AUZ103 4.8 1.0 1.0
N11 A:AUZ103 4.8 1.0 1.0
C34 A:AUZ103 4.8 1.0 1.0
C33 A:AUZ103 4.8 1.0 1.0
C6 A:DG12 4.8 1.0 1.0
C2 A:DG16 4.8 1.0 1.0
N6 A:DA3 5.0 1.0 1.0

Reference:

J.Wirmer-Bartoschek, L.E.Bendel, H.R.A.Jonker, J.T.Grun, F.Papi, C.Bazzicalupi, L.Messori, P.Gratteri, H.Schwalbe. Solution uc(Nmr) Structure of A Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements That Affect Ligand Binding. Angew. Chem. Int. Ed. Engl. V. 56 7102 2017.
ISSN: ESSN 1521-3773
PubMed: 28524432
DOI: 10.1002/ANIE.201702135
Page generated: Sat Dec 12 01:54:24 2020

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