Gold in PDB 6iq4: Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups.

The structure of Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups., PDB code: 6iq4 was solved by L.Defalco, L.K.Batchelor, Z.Adhireksan, P.J.Dyson, C.A.Davey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.307, 109.741, 183.254, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 25.7

The structure of Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups. also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Ruthenium	(Ru)	1 atom

The binding sites of Gold atom in the Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups. (pdb code 6iq4). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total only one binding site of Gold was determined in the Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups., PDB code: 6iq4:

Gold binding site 1 out of 1 in the Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups.


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Nucleosome Core Particle Cross-Linked with A Hetero-Binuclear Molecule Possessing Rapta and Gold(I) 4-(Diphenylphosphino)Benzoic Acid Groups. within 5.0Å range: probe atom residue distance (Å) B Occ A:Au201 b:0.4 occ:0.60 ND1 A:HIS113 2.1 58.0 1.0 P1 A:XIS202 2.3 0.6 0.6 CE1 A:HIS113 3.1 52.7 1.0 CG A:HIS113 3.1 52.0 1.0 C13 A:XIS202 3.4 0.3 0.6 C1 A:XIS202 3.4 0.7 0.6 C7 A:XIS202 3.5 0.0 0.6 CB A:HIS113 3.5 54.6 1.0 O A:HOH302 3.6 59.9 1.0 CA A:HIS113 3.7 55.5 1.0 C12 A:XIS202 3.8 0.5 0.6 C18 A:XIS202 3.9 0.0 0.6 C2 A:XIS202 4.0 0.2 0.6 O E:LYS122 4.2 54.7 1.0 NE2 A:HIS113 4.2 49.5 1.0 CD2 A:HIS113 4.2 49.8 1.0 C14 A:XIS202 4.3 1.0 0.6 CB E:LYS122 4.4 59.9 1.0 C6 A:XIS202 4.5 0.3 0.6 CB E:LEU126 4.5 51.7 1.0 N A:HIS113 4.6 61.2 1.0 CD2 E:LEU126 4.6 59.1 1.0 CG E:LYS122 4.6 62.4 1.0 C A:HIS113 4.7 57.1 1.0 CE E:LYS122 4.7 82.3 1.0 C8 A:XIS202 4.7 0.6 0.6 O A:HIS113 4.7 60.7 1.0 C E:LYS122 4.8 54.6 1.0 CG E:LEU126 4.9 56.1 1.0 CD1 E:LEU126 4.9 54.5 1.0

L.K.Batchelor, L.De Falco, T.Von Erlach, D.Sharma, Z.Adhireksan, U.Roethlisberger, C.A.Davey, P.J.Dyson. Crosslinking Allosteric Sites on the Nucleosome. Angew.Chem.Int.Ed.Engl. V. 58 15660 2019.
ISSN: ESSN 1521-3773
PubMed: 31478581
DOI: 10.1002/ANIE.201906423