MolNFT v1 · #72211 · protein

Crystal structure of ihhn

3N1O · Indian hedgehog protein: “Crystal structure of ihhn”. X-ray diffraction, 2 ligands (ZN, CA), 7 pockets (best druggability 0.62). MolNFT v1 #72211 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3N1O
Type: protein
Length: 451 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Indian hedgehog protein
UniProt: Q14623
Ligands: ZN, CA
Pockets: 7 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Indian hedgehog protein	protein	151	28% helix, 21% strand	Q14623
B	Indian hedgehog protein	protein	149	26% helix, 18% strand	Q14623

Ligands and binding sites

ZN · Zinc ion · metal · 3 copies · chains A, B, C
CA · Calcium ion · metal · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	511	0.62	0.75	49	empty
2	113	0.48	0.80	26	empty
3	124	0.45	0.77	17	empty
4	56	0.42	0.83	16	empty
5	55	0.34	0.78	12	empty

Interfaces

3 interfaces between chains.

A–B · 663 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 650 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 51 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3N1O · Crystal structure of IhhN · the same entry in another collection · chain A against A, 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 0.99

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
Elsewhere: RCSB PDB 3N1O · PDBe 3N1O · UniProt Q14623

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.