MDBind 3f7g

Open

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

MD-A005OE

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 3f7g pdb structure from MDBind dataset, a dynamic view of the PDBBind database

Starting structure: 3F7GPDB 3F7G(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 · 4 chains7,651 atoms495 residues
OtherOther71 atoms
Total7,727 atoms501 residues
Box dimensions: a11.752nm
b8.716nm
c8.274nm

Sequence 1Protein · 99 residues

AGATLSRGPA FPGMGSEELR LASFYDWPLT AEVPPELLAA AGFFHTGHQD KVRCFFCYGG LQSWKRGDDP WTEHAKWFPS CQFLLRSKGR DFVHSVQET

Sequence 2Protein · 101 residues

AGATLSRGPA FPGMGSEELR LASFYDWPLT AEVPPELLAA AGFFHTGHQD KVRCFFCYGG LQSWKRGDDP WTEHAKWFPS CQFLLRSKGR DFVHSVQETH S

Sequence 3Protein · 100 residues

AGATLSRGPA FPGMGSEELR LASFYDWPLT AEVPPELLAA AGFFHTGHQD KVRCFFCYGG LQSWKRGDDP WTEHAKWFPS CQFLLRSKGR DFVHSVQETH

Sequence 4Protein · 94 residues

GPAFPGMGSE ELRLASFYDW PLTAEVPPEL LAAAGFFHTG HQDKVRCFFC YGGLQSWKRG DDPWTEHAKW FPSCQFLLRS KGRDFVHSVQ ETHS

28 files · 108 MB

All files108 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