MolNFT v1 · #148146 · protein
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
6EY9: “Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation”. X-ray diffraction, 2 ligands (C4N, SO4). MolNFT v1 #148146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EY9
- Type
- protein
- Length
- 207 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P07900
- Ligands
- C4N, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 207 | — | P07900 |
Ligands and binding sites
- C4N · ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6EY9 · Estimation of relative drug-target residence times by random acceleration 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 6EY9 · PDBe 6EY9 · UniProt P07900
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