MolNFT v1 · #134978 · protein

Crystal structure of SARS-cov papain-like protease in complex with the C-terminal domain of human ISG15

5TL6 · Replicase polyprotein 1AB: “Crystal structure of SARS-cov papain-like protease in complex with the C-terminal domain of human ISG15”. X-ray diffraction, 3 ligands (AYE, ZN, SO4), 5 pockets (best druggability 0.77). MolNFT v1 #134978…

PDB: 5TL6
Type: protein
Length: 782 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Replicase polyprotein 1AB; Ubiquitin-like protein ISG15
EC: 3.4.19.12, 3.4.22.69, 3.4.22.-, 2.7.7.48, 3.6.4.12, 3.6.4.13, 2.1.1.-, 3.1.13.-, 3.1.-.-
UniProt: P0C6X7, P05161
Ligands: AYE, ZN, SO4
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Replicase polyprotein 1AB (EC 3.4.19.12, 3.4.22.69, 3.4.22.-, 2.7.7.48, 3.6.4.12, 3.6.4.13, 2.1.1.-, 3.1.13.-, 3.1.-.-)	protein	315	25% helix, 36% strand	P0C6X7
D	Replicase polyprotein 1AB (EC 3.4.19.12, 3.4.22.69, 3.4.22.-, 2.7.7.48, 3.6.4.12, 3.6.4.13, 2.1.1.-, 3.1.13.-, 3.1.-.-)	protein	312	25% helix, 35% strand	P0C6X7
C	Ubiquitin-like protein ISG15	protein	78	24% helix, 36% strand	P05161
A	Ubiquitin-like protein ISG15	protein	77	25% helix, 35% strand	P05161

Ligands and binding sites

AYE · prop-2-en-1-amine · ligand · 2 copies · chains D, C, B, A
ZN · Zinc ion · metal · 2 copies · chains B, D
SO4 · Sulfate ion · ion · chains B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1059	0.77	0.79	72	SO4
2	709	0.76	0.81	85	empty
3	604	0.74	0.81	76	empty
4	54	0.42	0.83	12	empty
5	69	0.32	0.75	16	empty

Interfaces

3 interfaces between chains.

D–C · 866 Å² buried · 12 hydrogen bonds · protein-protein
B–A · 782 Å² buried · 7 hydrogen bonds · protein-protein
B–D · 585 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

5TL6 · Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain… · the same entry in another collection · chain B against B, TM-score 1.00
P05161 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (P05161) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P0C6X7
Every structure of UniProt P05161
Elsewhere: RCSB PDB 5TL6 · PDBe 5TL6 · UniProt P0C6X7 · UniProt P05161

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.