MolNFT v1 · #66364 · protein
Crystal structure of hedgehog-interacting protein (hhip) and sonic hedgehog (shh) complex
3HO5: “Crystal structure of hedgehog-interacting protein (hhip) and sonic hedgehog (shh) complex”. X-ray diffraction, 2 ligands (ZN, CA), 9 pockets (best druggability 0.79). MolNFT v1 #66364 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HO5
- Type
- protein
- Length
- 1,051 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hedgehog-interacting protein; Sonic hedgehog protein
- UniProt
- Q96QV1, Q15465
- Ligands
- ZN, CA
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hedgehog-interacting protein | protein | 446 | 5% helix, 37% strand | Q96QV1 |
| B | Hedgehog-interacting protein | protein | 451 | 5% helix, 38% strand | Q96QV1 |
| H | Sonic hedgehog protein | protein | 154 | 22% helix, 18% strand | Q15465 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 835 | 0.79 | 0.82 | 70 | empty |
| 2 | 874 | 0.79 | 0.81 | 73 | empty |
| 3 | 263 | 0.70 | 0.85 | 47 | empty |
| 4 | 226 | 0.68 | 0.85 | 41 | empty |
| 5 | 315 | 0.58 | 0.77 | 35 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1061 Ų buried · 11 hydrogen bonds · protein-protein
- B–H · 953 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 disulfide (disulfide).
Compared structures
- 3HO5 · Crystal structure of Hedgehog-interacting protein (HHIP) and Sonic hedgehog (SHH) complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q96QV1 · AlphaFold monomer V2.0 prediction for hedgehog-interacting protein (Q96QV1) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q15465 · AlphaFold monomer V2.0 prediction for sonic hedgehog protein (Q15465) · a predicted model of the same protein · chain H against A, TM-score 0.98
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 Q96QV1
- Every structure of UniProt Q15465
- Elsewhere: RCSB PDB 3HO5 · PDBe 3HO5 · UniProt Q96QV1 · UniProt Q15465
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