Arz3

Molecular Docking
CLIC1-OSMR and CLIC1-EGFRvIII(A,J)

We have computed the Molecular Docking Modeling of these 3 protein pairs. You can use this page:

- Download Top Model.
Top Model is the most probable docking pose of these 2 proteins from Molecular Mechanics point of view. Top Model is computed under usual constraints including a rigid protein to protein docking. You can deploy Top Models for further Molecular Dynamics Computations.

- Use Contacts tables (at the next linked pages) to find the residues / atoms involved in: the structural contacts and perhaps a signaling.

Results:

The AlphaFold prediction AF-O00299-F1-model_v4.pdb was used for O00299 (CLIC1_HUMAN) as Chain = 'A'.
The AlphaFold prediction AF-Q99650-F1-model_v4.pdb was used for Q99650 (OSMR_HUMAN) as Chain = 'H'.
P00533vIIIA is EGFRvIII as NM_001346941.2 as Chain = 'F'.
P00533vIIIJ is EGFRvIII obtained by deletion of amino acids 6-273 at P00533 (EGFR_HUMAN). The AlphaFold model is AF-P00533-F1-model_v4.pdb.
Note: All AlphaFold models were obtained through https://www.uniprot.org/uniprotkb/[Uniprot-ID]/entry#structure as Chain = 'G'.

Docked by MEGADOCK
Num	ID	Receptor click to download	Ligand click to download	Top position click to download	Top image Receptor: w Ligand: w BIO-score
1	O00299 - P00533vIIIA	P00533vIIIA	O00299	1	Contacts
2	O00299 - P00533vIIIJ	P00533vIIIJ	O00299	1	Contacts
3	O00299 - Q99650	Q99650	O00299	1	Contacts

- Click link in the Receptor column to download a pdb-file of protein which was used at a receptor (frozen in space) role in this docking modeling.
- Click link in the Ligand column to download a pdb-file of protein with ligand role in modeling.
- Click the link in the Top position column to download the Top Model pdb-file.
- Below the image in the Top image column: URL link to Contacts tables for Top Model.

Note: We recommend ChimeraX for pdb-files visualization.

Krembil, Jurisica Lab. February 20, 2025 Database: 1.0.11.0