Structure of PDB 6fug Chain B

Receptor sequence

>6fugB (length=211) Species: 9606 (Homo sapiens)

ILGGREAEAHARPYMASVQLNGAHLCGGVLVAEQWVLSAAHCLEGKVQVL
LGAHSLSQPEPSKRLYDVLRAVPHPDSQPDTIDHDLLLLQLSEKATLGPA
VRPLPWQRVDRDVAPGTLCDVAGWGIVNHAGRRPDSLQHVLLPVLDRATC
NTERLMCAESNRRDSCKGDSGGPLVCGGVLEGVVTRVCGNRKKPIYTRVA
SYAAWIDSVLA

3D structure

• PDB: 6fug Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
• Chain: B
• Resolution: 2.21 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 K192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D85 K167 G168 D169 S170 G171
• Enzyme Commision number: 3.4.21.46: complement factor D.

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	E85	B	H146 D189 S190 C191 K192 S195 R218 V219 C220	H129 D164 S165 C166 K167 S170 R186 V187 C188	MOAD: Kd=50uM BindingDB: IC50=20000nM,Kd=50000nM

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006508 proteolysis
• GO:0006956 complement activation
• GO:0006957 complement activation, alternative pathway
• GO:0009617 response to bacterium

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0031093 platelet alpha granule lumen
• GO:0034774 secretory granule lumen
• GO:0070062 extracellular exosome
• GO:1904813 ficolin-1-rich granule lumen

External links

• PDB: RCSB:6fug, PDBe:6fug, PDBj:6fug
• PDBsum: 6fug
• PubMed: 29795765
• UniProt: P00746|CFAD_HUMAN Complement factor D (Gene Name=CFD)