MolNFT v1 · #133742 · protein

Pandda analysis group deposition -- crystal structure of phip in complex with Z198194396 synthetic derivative

5S9I · PH-interacting protein: “Pandda analysis group deposition -- crystal structure of phip in complex with Z198194396 synthetic derivative”. X-ray diffraction, 1 ligand (Y3S), 1 pocket (best druggability 0.51). MolNFT v1 #133742 on…

PDB: 5S9I
Type: protein
Length: 119 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PH-interacting protein
UniProt: Q8WWQ0
Ligands: Y3S
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PH-interacting protein	protein	119	67% helix, 0% strand	Q8WWQ0

Ligands and binding sites

Y3S · (2R)-4-(3-fluorothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.51	0.81	17	Y3S

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 Q8WWQ0
Elsewhere: RCSB PDB 5S9I · PDBe 5S9I · UniProt Q8WWQ0

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