Molybdenum in PDB 8qmo: Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex

The structure of Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Molybdenum atom in the Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex (pdb code 8qmo). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex, PDB code: 8qmo:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo801 b:39.5 occ:1.00 MO A:MOO801 0.0 39.5 1.0 O2 A:MOO801 1.7 28.8 1.0 O1 A:MOO801 1.7 40.7 1.0 O4 A:MOO801 1.7 22.6 1.0 O3 A:MOO801 1.7 31.9 1.0 H A:GLY132 3.1 22.7 1.0 O2B A:ADP802 3.2 21.8 1.0 HA2 A:GLY127 3.2 26.9 1.0 H A:PHE129 3.2 22.4 1.0 HB2 A:PHE129 3.3 22.5 1.0 O3A A:ADP802 3.3 27.5 1.0 HA3 A:GLY132 3.4 22.0 1.0 HH11 A:ARG392 3.4 22.0 1.0 H A:GLY130 3.5 20.5 1.0 HH12 A:ARG392 3.6 20.6 1.0 NH1 A:ARG392 3.6 32.4 1.0 H A:VAL131 3.7 17.5 1.0 MG A:MG803 3.7 20.9 1.0 H A:GLN128 3.7 29.6 1.0 N A:GLY132 3.7 22.4 1.0 HD2 A:PHE129 3.8 20.4 1.0 PB A:ADP802 3.9 4.4 1.0 CA A:GLY132 4.0 16.5 1.0 HD2 A:ARG392 4.0 18.9 1.0 N A:PHE129 4.0 21.1 1.0 CA A:GLY127 4.1 23.2 1.0 CB A:PHE129 4.1 21.5 1.0 N A:GLY130 4.2 12.0 1.0 HA3 A:GLY127 4.2 26.0 1.0 HA2 A:GLY132 4.2 20.7 1.0 HG22 A:VAL131 4.3 20.1 1.0 N A:GLN128 4.3 28.6 1.0 O1B A:ADP802 4.3 25.4 1.0 CD2 A:PHE129 4.3 20.4 1.0 OE1 A:GLU42 4.3 34.9 1.0 CZ A:ARG392 4.5 21.8 1.0 N A:VAL131 4.5 4.0 1.0 CA A:PHE129 4.5 17.5 1.0 PA A:ADP802 4.5 7.7 1.0 CG A:PHE129 4.5 18.8 1.0 O1A A:ADP802 4.6 34.3 1.0 C A:GLY127 4.6 26.3 1.0 C A:PHE129 4.8 14.8 1.0 C A:VAL131 4.8 11.7 1.0 HB3 A:PHE129 4.8 21.7 1.0 CD A:ARG392 4.9 15.5 1.0 NE A:ARG392 5.0 9.7 1.0 HA2 A:GLY130 5.0 20.1 1.0

Molybdenum binding site 2 out of 2 in the Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo801 b:42.2 occ:1.00 MO B:MOO801 0.0 42.2 1.0 O2 B:MOO801 1.7 34.8 1.0 O4 B:MOO801 1.7 25.1 1.0 O1 B:MOO801 1.7 44.2 1.0 O3 B:MOO801 1.7 10.8 1.0 O1B B:ADP802 2.8 28.4 1.0 HE B:ARG392 3.0 23.8 1.0 HB2 B:PHE129 3.1 18.6 1.0 H B:GLY132 3.2 21.5 1.0 HA3 B:GLY132 3.3 19.7 1.0 HA2 B:GLY127 3.4 26.8 1.0 H B:PHE129 3.4 20.7 1.0 HD2 B:PHE129 3.4 19.5 1.0 HH21 B:ARG392 3.4 22.5 1.0 H B:GLY130 3.7 19.1 1.0 N B:GLY132 3.8 17.9 1.0 H B:VAL131 3.8 19.5 1.0 NE B:ARG392 3.8 20.2 1.0 MG B:MG803 3.9 29.5 1.0 CA B:GLY132 3.9 7.4 1.0 PB B:ADP802 4.0 9.0 1.0 H B:GLN128 4.0 27.7 1.0 CB B:PHE129 4.0 13.6 1.0 CD2 B:PHE129 4.0 21.8 1.0 NH2 B:ARG392 4.2 18.7 1.0 OE1 B:GLU42 4.2 41.9 1.0 HA2 B:GLY132 4.2 21.0 1.0 N B:PHE129 4.2 11.7 1.0 O3B B:ADP802 4.3 27.4 1.0 CA B:GLY127 4.3 28.1 1.0 N B:GLY130 4.3 4.8 1.0 CG B:PHE129 4.4 16.2 1.0 O3A B:ADP802 4.4 15.2 1.0 O1A B:ADP802 4.4 30.8 1.0 HA3 B:GLY127 4.4 25.5 1.0 HD2 B:ARG392 4.5 24.8 1.0 HG22 B:VAL131 4.5 19.7 1.0 CZ B:ARG392 4.5 18.1 1.0 N B:GLN128 4.6 23.3 1.0 CA B:PHE129 4.6 12.4 1.0 N B:VAL131 4.6 12.6 1.0 HB3 B:PHE129 4.7 19.1 1.0 CD B:ARG392 4.8 26.2 1.0 PA B:ADP802 4.8 8.2 1.0 HH22 B:ARG392 4.9 23.6 1.0 C B:PHE129 4.9 15.5 1.0 C B:VAL131 4.9 13.1 1.0 C B:GLY127 4.9 15.2 1.0 CD B:GLU42 5.0 39.3 1.0

H.S.Kwong, M.Paloni, L.Grandvuillemin, S.Sirounian, A.Ancelin, J.Lai-Kee-Him, M.Grimaldi, C.Carivenc, C.Lancey, T.J.Ragan, E.L.Hesketh, P.Balaguer, A.Barducci, J.Gruszczyk, W.Bourguet. Structural Insights Into the Activation of Human Aryl Hydrocarbon Receptor By the Environmental Contaminant Benzo[A]Pyrene and Structurally Related Compounds. J.Mol.Biol. 68411 2023.
ISSN: ESSN 1089-8638
PubMed: 38135181
DOI: 10.1016/J.JMB.2023.168411