MolNFT v1 · #136206 · protein
Structure of GRP94 in the active conformation
5ULS · Endoplasmin: “Structure of GRP94 in the active conformation”. X-ray diffraction, 1 ligand (ANP), 20 pockets (best druggability 0.84). MolNFT v1 #136206 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ULS
- Type
- protein
- Length
- 1,292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoplasmin
- UniProt
- P41148
- Ligands
- ANP
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoplasmin | protein | 650 | 33% helix, 18% strand | P41148 |
| B | Endoplasmin | protein | 642 | 37% helix, 20% strand | P41148 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 986 | 0.84 | 0.85 | 127 | empty |
| 2 | 280 | 0.79 | 0.91 | 43 | ANP |
| 3 | 244 | 0.79 | 0.92 | 42 | ANP |
| 4 | 548 | 0.78 | 0.84 | 55 | empty |
| 5 | 236 | 0.76 | 0.89 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 4531 Ų buried · 42 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 5ULS · PDBe 5ULS · UniProt P41148
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