MolNFT v1 · #148641 · protein
Estimation of protein-ligand unbinding kinetics using non-equilibrium targeted molecular dynamics simulations
6FCJ: “Estimation of protein-ligand unbinding kinetics using non-equilibrium targeted molecular dynamics simulations”. X-ray diffraction, 1 ligand (D4W). MolNFT v1 #148641 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FCJ
- Type
- protein
- Length
- 208 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P07900
- Ligands
- D4W
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 208 | — | P07900 |
Ligands and binding sites
- D4W · 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6FCJ · Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P07900
- Elsewhere: RCSB PDB 6FCJ · PDBe 6FCJ · UniProt P07900
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