Research workbench
Crystal structure of disulfide-bond-crosslinked complex of bovine HSC70 (1-394AA)R171C and bovine auxilin (810-910AA)D876C in the amppnp intact form
Analyse Crystal structure of disulfide-bond-crosslinked complex of bovine HSC70… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QWR
- Type
- protein
- Length
- 475 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock cognate 71 kda protein; Putative tyrosine-protein phosphatase auxilin
- EC
- 3.1.3.48
- UniProt
- P19120, Q27974
- Ligands
- ANP
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock cognate 71 kda protein | protein | 383 | 38% helix, 28% strand | P19120 |
| B | Putative tyrosine-protein phosphatase auxilin (EC 3.1.3.48) | protein | 92 | 64% helix, 0% strand | Q27974 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- ACY · Acetic acid · additive · 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 | 737 | 0.78 | 0.83 | 76 | ANP, GOL |
| 2 | 497 | 0.67 | 0.78 | 48 | empty |
| 3 | 81 | 0.31 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 449 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2QWR · Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C… · the same entry in another collection · chain A against A, TM-score 1.00
- Q27974 · AlphaFold monomer V2.0 prediction for putative tyrosine-protein phosphatase auxilin… · a predicted model of the same protein · chain B against A, TM-score 0.98
- P19120 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P19120) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 P19120
- Every structure of UniProt Q27974
- Elsewhere: RCSB PDB 2QWR · PDBe 2QWR · UniProt P19120 · UniProt Q27974
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