MolNFT v1 · #115380 · protein

Structure of ISG15 in space group P212121

5CHW · Ubiquitin-like protein ISG15: “Structure of ISG15 in space group P212121”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.74). MolNFT v1 #115380 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5CHW
Type: protein
Length: 1,512 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin-like protein ISG15
UniProt: Q64339
Ligands: SO4
Pockets: 20 · best druggability 0.74

Structure

x-ray diffraction · 5 distinct chains · 24% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, E, G	Ubiquitin-like protein ISG15	protein	154	24% helix, 36% strand	Q64339
B	Ubiquitin-like protein ISG15	protein	151	25% helix, 36% strand	Q64339
C, H	Ubiquitin-like protein ISG15	protein	150	25% helix, 37% strand	Q64339
F	Ubiquitin-like protein ISG15	protein	147	23% helix, 32% strand	Q64339
I, J	Ubiquitin-like protein ISG15	protein	149	23% helix, 37% strand	Q64339

Ligands and binding sites

SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, I, D, F, E, G, H
GOL · Glycerol · additive · 9 copies · chains A, B, C, D, G, I

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	705	0.74	0.79	55	empty
2	712	0.73	0.79	64	GOL
3	392	0.72	0.83	30	empty
4	427	0.72	0.83	45	GOL
5	475	0.72	0.82	53	empty

Interfaces

14 interfaces between chains.

C–E · 1229 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1098 Å² buried · 16 hydrogen bonds · protein-protein
D–F · 1071 Å² buried · 9 hydrogen bonds · protein-protein
H–I · 1009 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 987 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

5CHW · Structure of ISG15 in space group P212121 · the same entry in another collection · chain J against J, TM-score 1.00
Q64339 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (Q64339) · a predicted model of the same protein · chain I against A, TM-score 0.68

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 5CHW · PDBe 5CHW · UniProt Q64339

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