MolNFT v1 · #143075 · protein
Structure of molecular chaperone GRP94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-FLUOROPHENYL)METHYL]PHENYL}ETHYL)-4,6- dihydroxybenzoate
6AOL · Endoplasmin: “Structure of molecular chaperone GRP94 bound to selective inhibitor methyl…”. X-ray diffraction, 1 ligand (VC1), 2 pockets (best druggability 0.63). MolNFT v1 #143075 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6AOL
- Type
- protein
- Length
- 217 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoplasmin
- UniProt
- P41148
- Ligands
- VC1
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoplasmin | protein | 217 | 39% helix, 24% strand | P41148 |
Ligands and binding sites
- VC1 · Methyl 3-chloro-2-(2-{2-[(4-fluorophenyl) methyl]phenyl}ethyl)-4,6-dihydroxybenzoate · ligand · chains A
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 310 | 0.63 | 0.79 | 30 | VC1 |
| 2 | 107 | 0.36 | 0.74 | 20 | P33 |
Compared structures
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 6AOL · PDBe 6AOL · UniProt P41148
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