NAFlex FOXA3 crystal rep2

Open

Athina Meletiou;

MD-A001FJ

Created: 23 Oct 2023
License: This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)

Description

N/A

Starting structure: 1VTNPDB 1VTN(opens in a new tab)
Force field: SPCE
Engine: GROMACS
Method: Classical MD
Frames: 5,000
Composition: Molecules of interest
ProteinProtein · 1 chain1,684 atoms102 residues
Nucleic acidNucleic1,077 atoms34 residues
Total2,762 atoms137 residues
Box dimensions: a7.957nm
b7.957nm
c7.957nm

3

Sequence 1Protein · 102 residues

HAKPPYSYIS LITMAIQQAP GKMLTLSEIY QWIMDLFPYY RENQQRWQNS IRHSLSFNDC FVKVARSPDK PGKGSYWALH PSSGNMFENG CYLRRQKRFK LA

Sequence 2Nucleic acid · 17 residues

GACTAAGTCA ACCACGC

Sequence 3Nucleic acid · 17 residues

GCGTGGTTGA CTTAGTC

1

Run	Outputs
replica 1	Trajectory Analyses

34 files · 211 MB

All files211 MB