MolNFT v1 · #64167 · protein

The crystal structure of prostasin complexed with camostat at 1.6 ångströms resolution

3FVF: “The crystal structure of prostasin complexed with camostat at 1.6 ångströms resolution”. X-ray diffraction, 1 ligand (1JZ), 4 pockets (best druggability 0.47). MolNFT v1 #64167 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3FVF
Type: protein
Length: 248 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Prostasin
EC: 3.4.21.-
UniProt: Q16651
Ligands: 1JZ
Pockets: 4 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Prostasin (EC 3.4.21.-)	protein	248	12% helix, 35% strand	Q16651

Ligands and binding sites

1JZ · 1-[4-(hydroxymethyl)phenyl]guanidine · ligand · chains B
DMS · Dimethyl sulfoxide · additive · 2 copies · chains B
GOL · Glycerol · additive

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

Pockets

4 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	125	0.47	0.79	28	1JZ, DMS
2	117	0.40	0.75	22	empty
3	55	0.32	0.76	16	empty
4	60	0.30	0.75	15	empty

Modifications

Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

3FVF · The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution · the same entry in another collection · chain B against B, TM-score 1.00
Q16651 · AlphaFold monomer V2.0 prediction for prostasin (Q16651) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 Q16651
Elsewhere: RCSB PDB 3FVF · PDBe 3FVF · UniProt Q16651

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