MolNFT v1 · #119726 · protein

The crystal structure of the SHANK3 N-terminus

5G4X · SH3 and multiple ankyrin repeat domains protein 3: “The crystal structure of the SHANK3 N-terminus”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #119726 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5G4X
Type: protein
Length: 346 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SH3 and multiple ankyrin repeat domains protein 3
UniProt: Q9JLU4
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SH3 and multiple ankyrin repeat domains protein 3	protein	346	42% helix, 10% strand	Q9JLU4

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 30 copies · chains A

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

Pockets

3 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	275	0.57	0.77	35	EDO
2	123	0.48	0.79	27	empty
3	84	0.32	0.73	16	EDO

Compared structures

5G4X · The crystal structure of the SHANK3 N-terminus · the same entry in another collection · chain A against A, TM-score 1.00
Q9JLU4 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 3… · a predicted model of the same protein · chain A 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 Q9JLU4
Elsewhere: RCSB PDB 5G4X · PDBe 5G4X · UniProt Q9JLU4

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