MolNFT v1 · #144933 · protein
Structure of GRP94 with a resorcinylic inhibitor.
6C91 · Endoplasmin: “Structure of GRP94 with a resorcinylic inhibitor.”. X-ray diffraction, 2 ligands (EQD, SO4), 5 pockets (best druggability 0.78). MolNFT v1 #144933 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C91
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoplasmin
- UniProt
- P41148
- Ligands
- EQD, SO4
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Endoplasmin | protein | 214 | 39% helix, 26% strand | P41148 |
| B | Endoplasmin | protein | 216 | 38% helix, 25% strand | P41148 |
Ligands and binding sites
- EQD · 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol · ligand · 2 copies · chains C, B
- SO4 · Sulfate ion · ion · 6 copies · chains C, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.78 | 0.87 | 32 | EQD |
| 2 | 334 | 0.78 | 0.88 | 30 | EQD |
| 3 | 209 | 0.49 | 0.75 | 27 | empty |
| 4 | 167 | 0.47 | 0.76 | 27 | EDO |
| 5 | 74 | 0.39 | 0.78 | 17 | EDO |
Interfaces
1 interface between chains.
- C–B · 815 Ų buried · 5 hydrogen bonds · protein-protein
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 6C91 · PDBe 6C91 · UniProt P41148
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