Molybdenum in PDB 7zub: Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr Complex

The structure of Cryo-Em Structure of the Indirubin-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 Indirubin-Bound HSP90-XAP2-Ahr Complex (pdb code 7zub). 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 Indirubin-Bound HSP90-XAP2-Ahr Complex, PDB code: 7zub:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in the Cryo-Em Structure of the Indirubin-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 Indirubin-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1003 b:36.5 occ:1.00 MO A:MOO1003 0.0 36.5 1.0 O3 A:MOO1003 1.9 21.9 1.0 O2 A:MOO1003 1.9 35.6 1.0 O4 A:MOO1003 1.9 41.1 1.0 O1 A:MOO1003 1.9 35.9 1.0 O2B A:ADP1001 3.1 27.5 1.0 HH11 A:ARG392 3.2 24.3 1.0 HB2 A:PHE129 3.2 26.2 1.0 H A:GLY132 3.3 23.9 1.0 HA3 A:GLY132 3.3 21.8 1.0 H A:PHE129 3.4 27.4 1.0 HA2 A:GLY127 3.4 27.0 1.0 NH1 A:ARG392 3.6 24.5 1.0 HH12 A:ARG392 3.6 24.1 1.0 H A:GLY130 3.6 27.4 1.0 O3A A:ADP1001 3.7 27.9 1.0 PB A:ADP1001 3.7 11.4 1.0 O1B A:ADP1001 3.8 27.3 1.0 H A:VAL131 3.8 23.2 1.0 MG A:MG1002 3.9 20.3 1.0 N A:GLY132 3.9 21.2 1.0 HD2 A:ARG392 3.9 20.9 1.0 HD2 A:PHE129 3.9 24.6 1.0 H A:GLN128 4.0 34.5 1.0 CA A:GLY132 4.0 13.4 1.0 CB A:PHE129 4.1 27.8 1.0 N A:PHE129 4.2 30.0 1.0 CA A:GLY127 4.3 24.2 1.0 HA3 A:GLY127 4.3 25.2 1.0 OE1 A:GLU42 4.3 40.9 1.0 HA2 A:GLY132 4.3 22.1 1.0 N A:GLY130 4.3 18.0 1.0 CD2 A:PHE129 4.5 18.6 1.0 CZ A:ARG392 4.5 16.3 1.0 N A:GLN128 4.5 29.5 1.0 N A:VAL131 4.6 11.7 1.0 CA A:PHE129 4.6 22.2 1.0 CG A:PHE129 4.7 21.1 1.0 HG22 A:VAL131 4.7 25.0 1.0 CD A:ARG392 4.8 14.0 1.0 HB3 A:PHE129 4.8 25.9 1.0 PA A:ADP1001 4.8 15.9 1.0 HG23 A:VAL131 4.8 21.9 1.0 C A:GLY127 4.9 23.3 1.0 C A:PHE129 4.9 16.1 1.0 C A:VAL131 5.0 13.5 1.0 NE A:ARG392 5.0 14.0 1.0

Molybdenum binding site 2 out of 2 in the Cryo-Em Structure of the Indirubin-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 Indirubin-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo1003 b:40.1 occ:0.98 MO B:MOO1003 0.0 40.1 1.0 O4 B:MOO1003 1.9 13.9 1.0 O3 B:MOO1003 1.9 36.7 1.0 O1 B:MOO1003 1.9 37.6 1.0 O2 B:MOO1003 1.9 49.7 1.0 H B:GLY132 3.2 23.6 1.0 O1B B:ADP1001 3.3 29.1 1.0 HE B:ARG392 3.3 28.1 1.0 HA3 B:GLY132 3.3 22.6 1.0 HA2 B:GLY127 3.4 28.6 1.0 O3A B:ADP1001 3.4 21.4 1.0 HB2 B:PHE129 3.5 26.2 1.0 H B:PHE129 3.5 26.4 1.0 H B:GLY130 3.5 23.9 1.0 HH21 B:ARG392 3.6 25.9 1.0 PB B:ADP1001 3.7 4.9 1.0 MG B:MG1002 3.7 21.2 1.0 O3B B:ADP1001 3.7 26.1 1.0 HD2 B:PHE129 3.8 25.0 1.0 N B:GLY132 3.8 17.8 1.0 H B:VAL131 3.9 23.6 1.0 H B:GLN128 3.9 34.9 1.0 CA B:GLY132 4.0 17.2 1.0 NE B:ARG392 4.0 27.9 1.0 OE1 B:GLU42 4.1 43.8 1.0 NH2 B:ARG392 4.2 21.4 1.0 HA2 B:GLY132 4.2 23.4 1.0 CA B:GLY127 4.3 22.7 1.0 N B:GLY130 4.3 15.4 1.0 CB B:PHE129 4.3 24.6 1.0 N B:PHE129 4.4 20.7 1.0 HA3 B:GLY127 4.4 26.6 1.0 CD2 B:PHE129 4.4 20.9 1.0 PA B:ADP1001 4.5 9.5 1.0 CZ B:ARG392 4.5 19.4 1.0 N B:GLN128 4.5 39.1 1.0 HD2 B:ARG392 4.6 26.2 1.0 N B:VAL131 4.6 17.1 1.0 HG22 B:VAL131 4.7 23.6 1.0 O2A B:ADP1001 4.7 16.8 1.0 CG B:PHE129 4.8 18.4 1.0 CA B:PHE129 4.8 16.2 1.0 O1A B:ADP1001 4.8 40.6 1.0 HH22 B:ARG392 4.9 26.4 1.0 C B:GLY127 4.9 24.5 1.0 CD B:ARG392 4.9 25.2 1.0 C B:VAL131 4.9 12.0 1.0

J.Gruszczyk, L.Grandvuillemin, J.Lai-Kee-Him, M.Paloni, C.G.Savva, P.Germain, M.Grimaldi, A.Boulahtouf, H.S.Kwong, J.Bous, A.Ancelin, C.Bechara, A.Barducci, P.Balaguer, W.Bourguet. Cryo-Em Structure of the Agonist-Bound HSP90-XAP2-Ahr Cytosolic Complex. Nat Commun V. 13 7010 2022.
ISSN: ESSN 2041-1723
PubMed: 36385050
DOI: 10.1038/S41467-022-34773-W