MolNFT v1 · #115377 · protein

Crystal structure of USP18

5CHT · Ubl carboxyl-terminal hydrolase 18: “Crystal structure of USP18”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.70). MolNFT v1 #115377 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5CHT
Type: protein
Length: 608 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubl carboxyl-terminal hydrolase 18
EC: 3.4.19.-
UniProt: Q9WTV6
Ligands: ZN
Pockets: 8 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ubl carboxyl-terminal hydrolase 18 (EC 3.4.19.-)	protein	308	30% helix, 30% strand	Q9WTV6
B	Ubl carboxyl-terminal hydrolase 18 (EC 3.4.19.-)	protein	300	30% helix, 30% strand	Q9WTV6

Ligands and binding sites

ZN · Zinc ion · metal · 3 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	444	0.70	0.81	63	empty
2	354	0.65	0.80	44	empty
3	56	0.50	0.86	13	empty
4	98	0.41	0.77	15	empty
5	66	0.40	0.80	19	empty

Interfaces

1 interface between chains.

A–B · 976 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5CHT · Crystal structure of USP18 · the same entry in another collection · chain A against A, TM-score 1.00
Q9WTV6 · AlphaFold monomer V2.0 prediction for ubl carboxyl-terminal hydrolase 18 (Q9WTV6) · 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 Q9WTV6
Elsewhere: RCSB PDB 5CHT · PDBe 5CHT · UniProt Q9WTV6

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