Structure of PDB 4ryd Chain B

Receptor sequence

>4rydB (length=465) Species: 9606 (Homo sapiens)

YQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKN
HPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNG
VCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDD
GKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYT
NSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQK
CTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNAN
DWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPK
DIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPM
GTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANN
YGTLTKFTLVLYGTA

3D structure

• PDB: 4ryd Novel Furin Inhibitors with Potent Anti-infectious Activity.
• Chain: B
• Resolution: 2.15 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D153 H194
• Catalytic site (residue number reindexed from 1): D44 H85
• Enzyme Commision number: 3.4.21.75: furin.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	peptide	B	D154 H194 V231 E236 W254 G255 P256 D264 Y308	D45 H85 V122 E127 W145 G146 P147 D155 Y199
BS02	peptide	B	S253 W254 G255 P256 D258 A292 D306 T367 S368	S144 W145 G146 P147 D149 A183 D197 T258 S259
BS03	CA	B	D115 D162 V205 N208 V210 G212	D6 D53 V96 N99 V101 G103
BS04	CA	B	D258 D301 E331	D149 D192 E222
BS05	CA	B	D174 D179 D181	D65 D70 D72

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:4ryd, PDBe:4ryd, PDBj:4ryd
• PDBsum: 4ryd
• PubMed: 25974265
• UniProt: P09958|FURIN_HUMAN Furin (Gene Name=FURIN)