Research workbench
Crystal structure of the complex between human hedgehog- interacting protein hip and sonic hedgehog in the presence of calcium
Analyse Crystal structure of the complex between human hedgehog- interacting protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WFX
- Type
- protein
- Length
- 569 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
- CA, NA, ZN
- Pockets
- 6 · best druggability 0.78
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 | 152 | 24% helix, 19% strand | Q62226 |
| B | Hedgehog-interacting protein | protein | 417 | 4% helix, 36% strand | Q96QV1 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A, B
- NA · Sodium ion · metal · 3 copies · chains B
- ZN · Zinc ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.78 | 0.82 | 71 | CA |
| 2 | 103 | 0.50 | 0.81 | 23 | empty |
| 3 | 138 | 0.47 | 0.78 | 26 | empty |
| 4 | 119 | 0.46 | 0.78 | 21 | empty |
| 5 | 91 | 0.42 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 855 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2WFX · 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 0.99
- Q96QV1 · AlphaFold monomer V2.0 prediction for hedgehog-interacting protein (Q96QV1) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 2WFX · PDBe 2WFX · UniProt Q62226 · UniProt Q96QV1
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