Research workbench
Crystal structure of the human 70KDA heat shock protein 5 (BIP/GRP78) ATPase domain in complex with ADP
Analyse Crystal structure of the human 70KDA heat shock protein 5 (BIP/GRP78) ATPase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IUC
- Type
- protein
- Length
- 767 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock 70KDA protein 5 (glucose-regulated protein, 78KDA)
- UniProt
- B0QZ61
- Ligands
- ADP, CA
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock 70KDA protein 5 (glucose-regulated protein, 78KDA) | protein | 379 | 39% helix, 30% strand | B0QZ61 |
| C | Heat shock 70KDA protein 5 (glucose-regulated protein, 78KDA) | protein | 388 | 38% helix, 28% strand | B0QZ61 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, C
- CA · Calcium ion · metal · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 661 | 0.80 | 0.85 | 68 | ADP, CA |
| 2 | 545 | 0.78 | 0.85 | 61 | ADP, CA |
| 3 | 200 | 0.57 | 0.80 | 24 | empty |
| 4 | 134 | 0.46 | 0.78 | 26 | empty |
| 5 | 60 | 0.34 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–C · 620 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3IUC · Crystal structure of the human 70kDa heat shock protein 5 (BiP/GRP78) ATPase domain in… · 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 B0QZ61
- Elsewhere: RCSB PDB 3IUC · PDBe 3IUC · UniProt B0QZ61
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