MDBind 5n8v 1

Open

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

MD-A00751

Created: 5 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 5n8v pdb structure from MDBind dataset, a dynamic view of the PDBBind database

Starting structure: 5N8VPDB 5N8V(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 chain1,035 atoms63 residues
OtherOther74 atoms
Total1,109 atoms64 residues
Box dimensions: a5.695nm
b5.517nm
c4.723nm

Sequence 1Protein · 63 residues

HSEREKRVSN AVEFLLDSRV RRTPTSSKVH FLKSKGLSAE EICEAFTKVG QPKTLNEIKR ILS

26 files · 17.9 MB

All files17.9 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