MolNFT v1 · #72212 · protein
Crystal structure of ihhn bound to BOCFN3
3N1P · Indian hedgehog protein: “Crystal structure of ihhn bound to BOCFN3”. X-ray diffraction, 2 ligands (CA, ZN), 1 pocket (best druggability 0.47). MolNFT v1 #72212 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3N1P
- Type
- protein
- Length
- 253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Indian hedgehog protein; Brother of cdo
- UniProt
- Q14623, Q9BWV1
- Ligands
- CA, ZN
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Indian hedgehog protein | protein | 153 | 25% helix, 18% strand | Q14623 |
| C | Brother of cdo | protein | 100 | 0% helix, 45% strand | Q9BWV1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.47 | 0.77 | 31 | ZN |
Interfaces
1 interface between chains.
- B–C · 728 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3N1P · Crystal Structure of IhhN bound to BOCFn3 · the same entry in another collection · chain B against B, TM-score 1.00
- Q14623 · AlphaFold monomer V2.0 prediction for indian hedgehog protein (Q14623) · a predicted model of the same protein · chain B against A, TM-score 0.97
- Q9BWV1 · AlphaFold monomer V2.0 prediction for brother of cdo (Q9BWV1) · a predicted model of the same protein · chain C against A, TM-score 0.97
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 Q14623
- Every structure of UniProt Q9BWV1
- Elsewhere: RCSB PDB 3N1P · PDBe 3N1P · UniProt Q14623 · UniProt Q9BWV1
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