Structure of PDB 4d9q Chain A Binding Site BS01

Receptor Information

>4d9q Chain A (length=228) Species: 9544 (Macaca mulatta)

ILGGREAEAHARPYMASVQVNGEHLCGGVLVAEQWVLSAAHCLEDAADGK
VQVLLGAHSLSQPEPSKRLYDVLRAVPHPDSRPDTIDHDLLLLQLSEKAT
LGPAVRPLPWQRVDRDVEPGTLCDVAGWGIVSHAGRRPDRLQHVLLPVLD
RATCNRRTHHDGAITQRMMCAESNRRDSCKGDSGGPLVCGGVLEGVVTSG
SRVCGNRKKPGIYTRVASYAAWIDSVLA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4d9q Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d9q Inhibiting alternative pathway complement activation by targeting the factor d exosite.
• Resolution: 2.28 Å
• Binding residue (original residue number in PDB): H57 D61
• Binding residue (residue number reindexed from 1): H41 D45
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 K192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D89 K180 G181 D182 S183 G184
• Enzyme Commision number: 3.4.21.46: complement factor D.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

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

Cellular Component

• GO:0005615 extracellular space

External links

• PDB: RCSB:4d9q, PDBe:4d9q, PDBj:4d9q
• PDBsum: 4d9q
• PubMed: 22362762
• UniProt: F6YBP7