Gold in PDB 9hq6: Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context

All present enzymatic activity of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context:
1.16.3.1;

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 96;

Binding sites:

The binding sites of Gold atom in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context (pdb code 9hq6). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 96 binding sites of Gold where determined in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context, PDB code: 9hq6:
Jump to Gold binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Gold binding site 1 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ A:Au202 b:182.8 occ:1.00 C6 A:BM0201 2.0 53.3 1.0 SG A:CYS106 2.2 76.2 1.0 H6 A:BM0201 3.0 50.1 1.0 N A:BM0201 3.0 52.7 1.0 H7 A:BM0201 3.1 40.2 1.0 N1 A:BM0201 3.1 51.7 1.0 AU A:AU204 3.1 230.8 1.0 HA A:CYS106 3.3 25.1 1.0 H12 A:BM0201 3.3 38.2 1.0 C3 A:BM0201 3.4 47.8 1.0 HD21 A:ASN102 3.5 32.4 1.0 CB A:CYS106 3.5 30.7 1.0 H A:CYS106 3.5 25.1 1.0 C7 A:BM0201 3.5 45.2 1.0 N A:CYS106 3.6 25.9 1.0 O A:ASN102 3.6 25.5 1.0 H13 A:BM0201 3.6 43.5 1.0 CA A:CYS106 3.7 23.9 1.0 C2 A:BM0201 3.7 49.3 1.0 HB2 A:GLU105 3.8 26.2 1.0 OD1 A:ASN102 3.8 39.5 1.0 ND2 A:ASN102 3.9 34.9 1.0 CG A:ASN102 4.0 33.4 1.0 HB2 A:CYS106 4.1 27.5 1.0 HB3 A:CYS106 4.1 29.7 1.0 HB3 A:GLU105 4.2 27.0 1.0 C4 A:BM0201 4.3 49.3 1.0 C A:GLU105 4.3 26.5 1.0 C5 A:BM0201 4.3 47.7 1.0 AU A:AU203 4.4 232.3 1.0 HD22 A:ASN102 4.4 30.5 1.0 CB A:GLU105 4.4 27.2 1.0 H3 A:BM0201 4.5 42.3 1.0 H5 A:BM0201 4.5 47.7 1.0 H8 A:BM0201 4.5 43.5 1.0 HA A:ASN102 4.6 24.3 1.0 H14 A:BM0201 4.6 42.4 1.0 C A:ASN102 4.6 22.9 1.0 C1 A:BM0201 4.7 48.0 1.0 O A:GLU105 4.8 27.5 1.0 H1 A:BM0201 4.9 44.3 1.0 CA A:GLU105 5.0 22.6 1.0

Gold binding site 2 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ A:Au203 b:232.3 occ:1.00 SG A:CYS94 2.4 84.5 1.0 AU A:AU204 2.9 230.8 1.0 AU A:AU205 3.2 221.0 1.0 HZ3 A:TRP97 3.8 29.0 1.0 SG A:CYS106 3.9 76.2 1.0 CB A:CYS94 4.0 39.4 1.0 HD21 A:ASN102 4.0 32.4 1.0 HB3 A:CYS94 4.1 42.0 1.0 HB2 A:CYS94 4.2 41.3 1.0 H1 A:BM0201 4.3 44.3 1.0 CZ3 A:TRP97 4.4 28.2 1.0 AU A:AU202 4.4 182.8 1.0 HE3 A:TRP97 4.4 26.4 1.0 H6 A:BM0201 4.7 50.1 1.0 CE3 A:TRP97 4.7 26.0 1.0 ND2 A:ASN102 4.8 34.9 1.0 HB2 A:ASP93 4.9 38.1 1.0

Gold binding site 3 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 3 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ A:Au204 b:230.8 occ:1.00 SG A:CYS106 2.5 76.2 1.0 AU A:AU203 2.9 232.3 1.0 H1 A:BM0201 2.9 44.3 1.0 H6 A:BM0201 3.0 50.1 1.0 AU A:AU202 3.1 182.8 1.0 H3 A:BM0201 3.2 42.3 1.0 HB3 A:CYS106 3.2 29.7 1.0 CB A:CYS106 3.4 30.7 1.0 HZ3 A:TRP97 3.5 29.0 1.0 HA A:CYS106 3.5 25.1 1.0 C1 A:BM0201 3.7 48.0 1.0 C A:BM0201 3.7 45.8 1.0 C2 A:BM0201 3.8 49.3 1.0 H7 A:BM0201 3.8 40.2 1.0 CA A:CYS106 4.0 23.9 1.0 H A:BM0201 4.2 41.6 1.0 HB2 A:CYS106 4.3 27.5 1.0 C3 A:BM0201 4.3 47.8 1.0 CZ3 A:TRP97 4.4 28.2 1.0 SG A:CYS94 4.5 84.5 1.0 H2 A:BM0201 4.6 44.2 1.0 C6 A:BM0201 4.6 53.3 1.0 H5 A:BM0201 4.7 47.7 1.0 H4 A:BM0201 4.7 41.6 1.0 HD21 A:ASN102 4.8 32.4 1.0 HE3 A:TRP97 4.8 26.4 1.0 N A:BM0201 4.9 52.7 1.0 HB3 A:HIS109 5.0 24.4 1.0 N A:CYS106 5.0 25.9 1.0

Gold binding site 4 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 4 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ A:Au205 b:221.0 occ:1.00 SG A:CYS94 2.3 84.5 1.0 AU A:AU203 3.2 232.3 1.0 HA A:CYS94 3.3 38.4 1.0 CB A:CYS94 3.4 39.4 1.0 HB3 A:CYS94 3.5 42.0 1.0 O A:ASP93 3.6 40.2 1.0 CA A:CYS94 3.7 37.8 1.0 HB3 A:ASP93 3.8 39.8 1.0 C A:ASP93 3.8 37.0 1.0 N A:CYS94 3.9 38.5 1.0 HB2 A:ASP93 4.1 38.1 1.0 HB2 A:CYS94 4.2 41.3 1.0 CB A:ASP93 4.4 41.0 1.0 H A:CYS94 4.5 37.0 1.0 CA A:ASP93 4.8 35.5 1.0 O A:HOH394 4.9 40.3 1.0

Gold binding site 5 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 5 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ B:Au202 b:182.8 occ:1.00 C6 B:BM0201 2.0 53.5 1.0 SG B:CYS106 2.2 76.5 1.0 H6 B:BM0201 3.0 50.4 1.0 N B:BM0201 3.0 53.2 1.0 H7 B:BM0201 3.0 40.3 1.0 N1 B:BM0201 3.1 51.4 1.0 AU B:AU204 3.1 234.7 1.0 HA B:CYS106 3.3 25.2 1.0 H12 B:BM0201 3.3 38.3 1.0 C3 B:BM0201 3.4 47.9 1.0 H B:CYS106 3.5 25.2 1.0 CB B:CYS106 3.5 30.8 1.0 HD21 B:ASN102 3.5 32.7 1.0 C7 B:BM0201 3.5 45.1 1.0 N B:CYS106 3.6 26.1 1.0 O B:ASN102 3.6 25.6 1.0 H13 B:BM0201 3.6 43.5 1.0 CA B:CYS106 3.7 23.9 1.0 OD1 B:ASN102 3.7 40.0 1.0 C2 B:BM0201 3.7 49.5 1.0 HB2 B:GLU105 3.8 26.2 1.0 ND2 B:ASN102 3.9 35.0 1.0 CG B:ASN102 4.0 33.4 1.0 HB2 B:CYS106 4.1 27.5 1.0 HB3 B:CYS106 4.1 29.7 1.0 HB3 B:GLU105 4.2 26.9 1.0 C4 B:BM0201 4.3 49.7 1.0 C B:GLU105 4.3 26.6 1.0 C5 B:BM0201 4.3 47.7 1.0 AU B:AU203 4.4 234.1 1.0 CB B:GLU105 4.4 27.2 1.0 H5 B:BM0201 4.5 47.9 1.0 HD22 B:ASN102 4.5 30.6 1.0 H3 B:BM0201 4.5 42.3 1.0 H8 B:BM0201 4.5 43.5 1.0 HA B:ASN102 4.6 24.7 1.0 C B:ASN102 4.6 23.0 1.0 H14 B:BM0201 4.6 43.1 1.0 C1 B:BM0201 4.7 48.2 1.0 O B:GLU105 4.8 27.4 1.0 H1 B:BM0201 4.9 44.8 1.0 CA B:GLU105 4.9 22.6 1.0 CA B:ASN102 5.0 23.8 1.0

Gold binding site 6 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 6 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ B:Au203 b:234.1 occ:1.00 SG B:CYS94 2.4 84.7 1.0 AU B:AU204 2.9 234.7 1.0 AU B:AU205 3.2 223.6 1.0 HZ3 B:TRP97 3.8 29.2 1.0 SG B:CYS106 3.9 76.5 1.0 CB B:CYS94 3.9 39.5 1.0 HD21 B:ASN102 4.0 32.7 1.0 HB3 B:CYS94 4.1 42.2 1.0 HB2 B:CYS94 4.2 41.3 1.0 H1 B:BM0201 4.3 44.8 1.0 CZ3 B:TRP97 4.4 28.3 1.0 AU B:AU202 4.4 182.8 1.0 HE3 B:TRP97 4.4 26.5 1.0 H6 B:BM0201 4.7 50.4 1.0 CE3 B:TRP97 4.7 26.1 1.0 ND2 B:ASN102 4.8 35.0 1.0 HB2 B:ASP93 4.9 37.9 1.0

Gold binding site 7 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 7 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ B:Au204 b:234.7 occ:1.00 SG B:CYS106 2.5 76.5 1.0 AU B:AU203 2.9 234.1 1.0 H1 B:BM0201 2.9 44.8 1.0 H6 B:BM0201 3.0 50.4 1.0 AU B:AU202 3.1 182.8 1.0 H3 B:BM0201 3.2 42.3 1.0 HB3 B:CYS106 3.2 29.7 1.0 CB B:CYS106 3.4 30.8 1.0 HZ3 B:TRP97 3.5 29.2 1.0 HA B:CYS106 3.5 25.2 1.0 C1 B:BM0201 3.7 48.2 1.0 C B:BM0201 3.7 46.1 1.0 C2 B:BM0201 3.8 49.5 1.0 H7 B:BM0201 3.8 40.3 1.0 CA B:CYS106 4.0 23.9 1.0 H B:BM0201 4.2 41.8 1.0 HB2 B:CYS106 4.3 27.5 1.0 C3 B:BM0201 4.3 47.9 1.0 CZ3 B:TRP97 4.4 28.3 1.0 SG B:CYS94 4.5 84.7 1.0 H2 B:BM0201 4.6 44.4 1.0 C6 B:BM0201 4.6 53.5 1.0 H5 B:BM0201 4.7 47.9 1.0 H4 B:BM0201 4.7 41.6 1.0 HE3 B:TRP97 4.8 26.5 1.0 HD21 B:ASN102 4.9 32.7 1.0 N B:BM0201 4.9 53.2 1.0 HB3 B:HIS109 5.0 24.3 1.0 N B:CYS106 5.0 26.1 1.0

Gold binding site 8 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 8 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ B:Au205 b:223.6 occ:1.00 SG B:CYS94 2.3 84.7 1.0 AU B:AU203 3.2 234.1 1.0 HA B:CYS94 3.3 38.5 1.0 CB B:CYS94 3.4 39.5 1.0 HB3 B:CYS94 3.5 42.2 1.0 O B:ASP93 3.6 39.9 1.0 CA B:CYS94 3.7 37.9 1.0 HB3 B:ASP93 3.8 39.5 1.0 C B:ASP93 3.8 37.1 1.0 N B:CYS94 3.9 38.5 1.0 HB2 B:ASP93 4.1 37.9 1.0 HB2 B:CYS94 4.2 41.3 1.0 CB B:ASP93 4.3 40.8 1.0 H B:CYS94 4.4 37.1 1.0 CA B:ASP93 4.8 35.5 1.0 O B:HOH392 4.9 40.5 1.0

Gold binding site 9 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 9 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ C:Au202 b:182.7 occ:1.00 C6 C:BM0201 2.0 53.0 1.0 SG C:CYS106 2.2 76.1 1.0 H6 C:BM0201 3.0 50.3 1.0 N C:BM0201 3.0 52.7 1.0 H7 C:BM0201 3.1 40.3 1.0 N1 C:BM0201 3.1 51.4 1.0 AU C:AU204 3.1 232.6 1.0 HA C:CYS106 3.3 25.2 1.0 H12 C:BM0201 3.3 38.2 1.0 C3 C:BM0201 3.4 47.8 1.0 HD21 C:ASN102 3.5 32.2 1.0 CB C:CYS106 3.5 30.8 1.0 H C:CYS106 3.5 25.3 1.0 C7 C:BM0201 3.5 45.2 1.0 N C:CYS106 3.6 26.2 1.0 O C:ASN102 3.6 25.6 1.0 H13 C:BM0201 3.6 43.5 1.0 CA C:CYS106 3.7 23.9 1.0 C2 C:BM0201 3.7 49.7 1.0 OD1 C:ASN102 3.8 39.1 1.0 HB2 C:GLU105 3.8 26.3 1.0 ND2 C:ASN102 3.9 34.7 1.0 CG C:ASN102 4.0 33.0 1.0 HB2 C:CYS106 4.1 27.5 1.0 HB3 C:CYS106 4.1 29.7 1.0 HB3 C:GLU105 4.2 26.9 1.0 C4 C:BM0201 4.3 49.5 1.0 C C:GLU105 4.3 26.7 1.0 C5 C:BM0201 4.3 47.7 1.0 AU C:AU203 4.4 229.9 1.0 HD22 C:ASN102 4.4 30.4 1.0 CB C:GLU105 4.4 27.3 1.0 H3 C:BM0201 4.5 42.2 1.0 H5 C:BM0201 4.5 47.9 1.0 H8 C:BM0201 4.5 43.6 1.0 HA C:ASN102 4.6 24.4 1.0 H14 C:BM0201 4.6 42.5 1.0 C C:ASN102 4.6 22.9 1.0 C1 C:BM0201 4.7 48.0 1.0 O C:GLU105 4.8 27.5 1.0 H1 C:BM0201 4.9 44.5 1.0 CA C:GLU105 4.9 22.6 1.0

Gold binding site 10 out of 96 in the Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 10 of Structural Insights in the Huhf@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context within 5.0Å range: probe atom residue distance (Å) B Occ C:Au203 b:229.9 occ:1.00 SG C:CYS94 2.4 85.0 1.0 AU C:AU204 2.9 232.6 1.0 AU C:AU205 3.2 224.0 1.0 HZ3 C:TRP97 3.8 29.3 1.0 SG C:CYS106 3.9 76.1 1.0 CB C:CYS94 3.9 40.1 1.0 HD21 C:ASN102 4.0 32.2 1.0 HB3 C:CYS94 4.1 42.8 1.0 HB2 C:CYS94 4.2 41.5 1.0 H1 C:BM0201 4.3 44.5 1.0 CZ3 C:TRP97 4.3 28.4 1.0 AU C:AU202 4.4 182.7 1.0 HE3 C:TRP97 4.4 26.5 1.0 CE3 C:TRP97 4.7 26.0 1.0 H6 C:BM0201 4.7 50.3 1.0 ND2 C:ASN102 4.8 34.7 1.0 HB2 C:ASP93 4.9 38.1 1.0

L.Cosottini, A.Giachetti, A.Guerri, A.Martinez-Castillo, A.Geri, S.Zineddu, N.G.A.Abrescia, L.Messori, P.Turano, A.Rosato. Structural Insight Into A Human H Ferritin@Gold-Monocarbene Adduct: Aurophilicity Revealed in A Biological Context. Angew.Chem.Int.Ed.Engl. 03778 2025.
ISSN: ESSN 1521-3773
PubMed: 40249912
DOI: 10.1002/ANIE.202503778