Research workbench
Crystal structure of the complex between human hedgehog-interacting protein hip and sonic hedgehog without calcium
Analyse Crystal structure of the complex between human hedgehog-interacting protein hip… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WG4
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sonic hedgehog protein N-product; Hedgehog-interacting protein
- UniProt
- Q62226, Q96QV1
- Ligands
- NA, ZN
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sonic hedgehog protein N-product | protein | 145 | 25% helix, 19% strand | Q62226 |
| B | Hedgehog-interacting protein | protein | 421 | 3% helix, 36% strand | Q96QV1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.79 | 0.82 | 75 | NA |
| 2 | 186 | 0.53 | 0.79 | 28 | empty |
| 3 | 81 | 0.50 | 0.83 | 24 | empty |
| 4 | 111 | 0.49 | 0.80 | 22 | empty |
| 5 | 116 | 0.39 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 817 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2WG4 · Crystal structure of the complex between human hedgehog-interacting protein HIP and sonic… · the same entry in another collection · chain A against A, TM-score 1.00
- Q62226 · AlphaFold monomer V2.0 prediction for sonic hedgehog protein (Q62226) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q96QV1 · AlphaFold monomer V2.0 prediction for hedgehog-interacting protein (Q96QV1) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q62226
- Every structure of UniProt Q96QV1
- Elsewhere: RCSB PDB 2WG4 · PDBe 2WG4 · UniProt Q62226 · UniProt Q96QV1
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