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Bat-SARSr-CoV RATG13 spike receptor binding domain | MDRepo

Bat-SARSr-CoV RATG13 spike receptor binding domain

Open

Vito Genna;

MD-A001M7

Created: 20 Apr 2020
License: This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)

Overview
Experiments 1
People & affiliations 1

Publishing

License

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

Related work

PDB

6VW1 (opens in a new tab)

UniProt

P0DTC2 (opens in a new tab)

Last updated 26 Jun 2026

Description

Theoretical model generated using Modeller from the PDB 6vw1

Molecular system

Starting structure: 6VW1PDB 6VW1(opens in a new tab)
Engine: GROMACS 2019.1
Method: Classical MD
Ensemble: NPT
Temperature: 310 K
Timestep: 2 fs
Length: 200 ns
Frames: 20,001
Composition: Molecules of interest
RBDProtein · 1 chain3,004 atoms194 residues
Total3,004 atoms194 residues
Box dimensions: Triclinic
a7.524nm
b7.524nm
c7.524nm

Sequences

1

Sequence 1Protein · 194 residues

NLCPFGEVFN ATTFASVYAW NRKRISNCVA DYSVLYNSTS FSTFKCYGVS PTKLNDLCFT NVYADSFVIT GDEVRQIAPG QTGKIADYNY KLPDDFTGCV IAWNSKHIDA KEGGNFNYLY RLFRKANLKP FERDISTEIY QAGSKPCNGQ TGLNCYYPLY RYGFYPTDGV GHQPYRVVVL SFELLNAPAT VCGP

Experiments

1

Run	Outputs
replica 1	Trajectory Analyses

Files

32 files · 909 MB

All files909 MB

average.pdbPDB
firstFrame.pdbPDB
structure.pdbPDB
trajectory.xtcXTC
noelem.pdbPDB
pocket_10.pdbPDB
pocket_07.pdbPDB
pocket_08.pdbPDB
pocket_09.pdbPDB
pocket_01.pdbPDB

Contributors

Research groups: IRB Barcelona, Orozco lab