MolNFT v1 · #176316 · protein

Falcilysin in complex with mk-4815

7DIJ: “Falcilysin in complex with mk-4815”. X-ray diffraction, 2 ligands (H8F, ZN), 19 pockets (best druggability 0.80). MolNFT v1 #176316 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7DIJ
Type: protein
Length: 1,074 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Falcilysin
UniProt: Q9U7N7
Ligands: H8F, ZN
Pockets: 19 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Falcilysin	protein	1074	49% helix, 19% strand	Q9U7N7

Ligands and binding sites

H8F · 2-(aminomethyl)-3,5-ditert-butyl-phenol · ligand · chains A
ZN · Zinc ion · metal · chains A
ACT · Acetate ion · additive · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 3 copies · chains A
GOL · Glycerol · additive · chains A
DMS · Dimethyl sulfoxide · additive · chains A

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

Pockets

19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	475	0.80	0.88	65	GOL, ACT
2	417	0.80	0.88	65	empty
3	387	0.69	0.81	44	empty
4	142	0.59	0.84	25	DMS
5	392	0.59	0.75	31	EDO, H8F

Compared structures

7DIJ · Falcilysin in complex with MK-4815 · 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 Q9U7N7
Elsewhere: RCSB PDB 7DIJ · PDBe 7DIJ · UniProt Q9U7N7

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