MolNFT v1 · #143203 · protein
Structure of GRP94 bound to methyl 2-[2-(2-benzylpyridin-3-YL)ETHYL]- 3-chloro-4,6-dihydroxybenzoate, a pan-HSP90 inhibitor
6ASQ: “Structure of GRP94 bound to methyl 2-[2-(2-benzylpyridin-3-YL)ETHYL]- 3-chloro-4,6-dihydroxybenzoate, a…”. X-ray diffraction, 1 ligand (VC4). MolNFT v1 #143203 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ASQ
- Type
- protein
- Length
- 435 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P41148
- Ligands
- VC4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 217 | — | P41148 |
| B | — | protein | 218 | — | P41148 |
Ligands and binding sites
- VC4 · methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate · ligand · 2 copies · chains A, B
- PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · 13 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6ASQ · Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydrox… · the same entry in another collection · chain A against A, TM-score 1.00
- P41148 · AlphaFold monomer V2.0 prediction for endoplasmin (P41148) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P41148
- Elsewhere: RCSB PDB 6ASQ · PDBe 6ASQ · UniProt P41148
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