MolNFT v1 · #160059 · protein

Crystal structure of il-36GAMMA complexed to a-552

6P9E · Interleukin-36 gamma: “Crystal structure of il-36GAMMA complexed to a-552”. X-ray diffraction, 1 ligand (O6D), 1 pocket (best druggability 0.50). MolNFT v1 #160059 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P9E
Type: protein
Length: 148 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Interleukin-36 gamma
UniProt: Q9NZH8
Ligands: O6D
Pockets: 1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Interleukin-36 gamma	protein	148	7% helix, 51% strand	Q9NZH8

Ligands and binding sites

O6D · (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid · 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	91	0.50	0.83	19	O6D

Compared structures

6P9E · Crystal structure of IL-36gamma complexed to A-552 · the same entry in another collection · chain A against A, TM-score 1.00
Q9NZH8 · AlphaFold monomer V2.0 prediction for interleukin-36 gamma (Q9NZH8) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q9NZH8
Elsewhere: RCSB PDB 6P9E · PDBe 6P9E · UniProt Q9NZH8

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