MolNFT v1 · #76283 · protein
Crystal structure of yeast HSP70 (BIP/KAR2) complexed with ADP
3QFU · 78 kda glucose-regulated protein homolog: “Crystal structure of yeast HSP70 (BIP/KAR2) complexed with ADP”. X-ray diffraction, 3 ligands (ADP, MG, PO4), 3 pockets (best druggability 0.77). MolNFT v1 #76283 on GenesisL1: 3D…
- PDB
- 3QFU
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 78 kda glucose-regulated protein homolog
- UniProt
- P16474
- Ligands
- ADP, MG, PO4
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 78 kda glucose-regulated protein homolog | protein | 379 | 41% helix, 28% strand | P16474 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.77 | 0.91 | 37 | ADP, PO4, MG |
| 2 | 466 | 0.64 | 0.77 | 47 | empty |
| 3 | 72 | 0.43 | 0.81 | 14 | PO4 |
Compared structures
- 3QFU · Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP · the same entry in another collection · chain A against A, TM-score 1.00
- P16474 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum chaperone bip (P16474) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P16474
- Elsewhere: RCSB PDB 3QFU · PDBe 3QFU · UniProt P16474
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