MolNFT v1 · #115363 · protein

Crystal structure of murine ISG15 in space group P21212

5CHF · Ubiquitin-like protein ISG15: “Crystal structure of murine ISG15 in space group P21212”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.74). MolNFT v1 #115363 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5CHF
Type: protein
Length: 747 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin-like protein ISG15
UniProt: Q64339
Ligands: SO4
Pockets: 8 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 23% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Ubiquitin-like protein ISG15	protein	149	22% helix, 36% strand	Q64339
B, E	Ubiquitin-like protein ISG15	protein	150	22% helix, 37% strand	Q64339
D	Ubiquitin-like protein ISG15	protein	149	24% helix, 36% strand	Q64339

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B, D
GOL · Glycerol · additive · 4 copies · chains A, B, D, E

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	305	0.74	0.87	33	GOL, SO4
2	662	0.73	0.80	62	empty
3	497	0.73	0.82	46	GOL
4	613	0.72	0.80	54	empty
5	236	0.48	0.74	36	GOL

Interfaces

4 interfaces between chains.

A–B · 1194 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1060 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 929 Å² buried · 9 hydrogen bonds · protein-protein
D–E · 883 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

5CHF · Crystal structure of murine ISG15 in space group P21212 · the same entry in another collection · chain E against E, TM-score 1.00
Q64339 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (Q64339) · a predicted model of the same protein · chain A against A, TM-score 0.69

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 Q64339
Elsewhere: RCSB PDB 5CHF · PDBe 5CHF · UniProt Q64339

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