MolNFT v1 · #154471 · protein
Hoip-HOIPIN1 complex
6KC5 · E3 ubiquitin-protein ligase RNF31: “Hoip-HOIPIN1 complex”. X-ray diffraction, 2 ligands (D5U, ZN), 2 pockets (best druggability 0.48). MolNFT v1 #154471 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KC5
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase RNF31
- EC
- 2.3.2.31
- UniProt
- Q96EP0
- Ligands
- D5U, ZN
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | E3 ubiquitin-protein ligase RNF31 (EC 2.3.2.31) | protein | 182 | 32% helix, 7% strand | Q96EP0 |
Ligands and binding sites
- D5U · 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid · ligand · chains B
- ZN · Zinc ion · metal · 4 copies · chains B
- GOL · Glycerol · additive · 4 copies · chains B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.48 | 0.74 | 30 | EPE |
| 2 | 193 | 0.45 | 0.74 | 27 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 Q96EP0
- Elsewhere: RCSB PDB 6KC5 · PDBe 6KC5 · UniProt Q96EP0
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