MDBind 5tbn

Open

Pierre-yves Libouban;Pascal Bonnet;Samia Aci-Sèche;

MD-A0063U

Created: 17 Feb 2026
License: This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)

Description

10 ns simulation of 5tbn pdb structure from MDBind dataset, a dynamic view of the PDBBind database

Starting structure: 5TBNPDB 5TBN(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 1 chain890 atoms57 residues
OtherOther193 atoms
Total1,085 atoms60 residues
Box dimensions: a5.169nm
b6.259nm
c5.417nm

Sequence 1Protein · 57 residues

GHMDRYDFEV VRCICEVQEE NDFMIQCEEC QCWQHGVCMG LLEENVPEKY TCYVCQD

15 files · 13.3 MB

All files13.3 MB

Research groups: Institute of Organic and Analytical chemistry, Orleans, FranceJanssen/Johnson & Johnson
Contact: For any questions please send a mail to plibouba@its.jnj.com