MolNFT v1 · #136546 · protein

The crystal structure of FZ4-crd in complex with palmitoleic acid

5UWG · Frizzled-4: “The crystal structure of FZ4-crd in complex with palmitoleic acid”. X-ray diffraction, 2 ligands (PAM, NAG), 2 pockets (best druggability 0.57). MolNFT v1 #136546 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5UWG
Type: protein
Length: 231 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Frizzled-4
UniProt: Q9ULV1
Ligands: PAM, NAG
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Frizzled-4	protein	116	40% helix, 6% strand	Q9ULV1
B	Frizzled-4	protein	115	44% helix, 9% strand	Q9ULV1

Ligands and binding sites

PAM · Palmitoleic acid · ligand · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B

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

Pockets

2 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	199	0.57	0.79	20	PAM
2	150	0.45	0.76	31	empty

Interfaces

1 interface between chains.

A–B · 399 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 10 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

5UWG · The crystal structure of Fz4-CRD in complex with palmitoleic acid · the same entry in another collection · chain A against A, TM-score 1.00
Q9ULV1 · AlphaFold monomer V2.0 prediction for frizzled-4 (Q9ULV1) · 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 Q9ULV1
Elsewhere: RCSB PDB 5UWG · PDBe 5UWG · UniProt Q9ULV1

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