MolNFT v1 · #136250 · protein

Frizzled-8 complex with designed surrogate wnt agonist, crystal form 1

5UN5: “Frizzled-8 complex with designed surrogate wnt agonist, crystal form 1”. X-ray diffraction, 4 pockets (best druggability 0.38). MolNFT v1 #136250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5UN5
Type: protein
Length: 417 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Frizzled-8; Designed wnt agonist B12
UniProt: Q9H461
Pockets: 4 · best druggability 0.38

Structure

x-ray diffraction · 3 distinct chains · 70% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Frizzled-8	protein	119	44% helix, 6% strand	Q9H461
D	Designed wnt agonist B12	protein	88	89% helix, 0% strand	—
C	Designed wnt agonist B12	protein	91	87% helix, 0% strand	—

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.38	0.77	17	empty
2	82	0.34	0.74	16	empty
3	55	0.33	0.78	14	empty
4	51	0.32	0.77	12	empty

Interfaces

3 interfaces between chains.

D–C · 2217 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 787 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 781 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

5UN5 · Frizzled-8 complex with designed surrogate Wnt agonist, crystal form 1 · the same entry in another collection · chain B against B, TM-score 1.00
Q9H461 · AlphaFold monomer V2.0 prediction for frizzled-8 (Q9H461) · a predicted model of the same protein · chain A 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 Q9H461
Elsewhere: RCSB PDB 5UN5 · PDBe 5UN5 · UniProt Q9H461

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