MolNFT v1 · #32849 · protein
Crystal structure of the chip U-box E3 ubiquitin ligase
2C2L · Carboxy terminus of HSP70-interacting protein: “Crystal structure of the chip U-box E3 ubiquitin ligase”. X-ray diffraction, 2 ligands (NI, SO4), 19 pockets (best druggability 0.67). MolNFT v1 #32849 on GenesisL1: 3D structure…
- PDB
- 2C2L
- Type
- protein
- Length
- 1,160 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxy terminus of HSP70-interacting protein; HSP90
- UniProt
- Q9DCJ0, Q96HX7
- Ligands
- NI, SO4
- Pockets
- 19 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Carboxy terminus of HSP70-interacting protein | protein | 281 | 60% helix, 4% strand | Q9DCJ0 |
| E, F, G, H | HSP90 | protein | 9 | 0% helix, 0% strand | Q96HX7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.67 | 0.83 | 25 | empty |
| 2 | 274 | 0.66 | 0.83 | 24 | empty |
| 3 | 446 | 0.60 | 0.75 | 38 | empty |
| 4 | 431 | 0.59 | 0.75 | 39 | empty |
| 5 | 266 | 0.58 | 0.78 | 31 | SO4 |
Interfaces
9 interfaces between chains.
- A–B · 1680 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1676 Ų buried · 8 hydrogen bonds · protein-protein
- C–G · 623 Ų buried · 7 hydrogen bonds · protein-protein
- A–E · 616 Ų buried · 7 hydrogen bonds · protein-protein
- B–F · 576 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2C2L · Crystal structure of the CHIP U-box E3 ubiquitin ligase · 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 Q9DCJ0
- Every structure of UniProt Q96HX7
- Elsewhere: RCSB PDB 2C2L · PDBe 2C2L · UniProt Q9DCJ0 · UniProt Q96HX7
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