MolNFT v1 · #164670 · protein

3C-like protease from southampton virus complexed with FMOPL000014A.

6T5D · Genome polyprotein: “3C-like protease from southampton virus complexed with FMOPL000014A.”. X-ray diffraction, 1 ligand (MJW), 2 pockets (best druggability 0.41). MolNFT v1 #164670 on GenesisL1: 3D structure, binding sites and…

PDB: 6T5D
Type: protein
Length: 344 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Genome polyprotein
EC: 3.6.1.15, 3.4.22.66, 2.7.7.48
UniProt: Q04544
Ligands: MJW
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Genome polyprotein (EC 3.6.1.15, 3.4.22.66, 2.7.7.48)	protein	172	8% helix, 53% strand	Q04544
B	Genome polyprotein (EC 3.6.1.15, 3.4.22.66, 2.7.7.48)	protein	172	8% helix, 51% strand	Q04544

Ligands and binding sites

MJW · 2-phenylmethoxyaniline · ligand · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	119	0.41	0.76	31	empty
2	69	0.34	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 966 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6T5D · 3C-like protease from Southampton virus complexed with FMOPL000014a. · the same entry in another collection · chain A against A, TM-score 1.00

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 Q04544
Elsewhere: RCSB PDB 6T5D · PDBe 6T5D · UniProt Q04544

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