Structure of PDB 3hs0 Chain I Binding Site BS01

Receptor Information
>3hs0 Chain I (length=704) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCSLEGVEIKGGSFRLLQEGQALEYVCPSGFYPYPVQTRTCRSTGSWSTL
KTQDQKTVRKAECRAIHCPRPHDFENGEYWPRSPYYNVSDEISFHCYDGY
TLRGSANRTCQVNGRWSGQTAICDNGAGYCSNPGIPIGTRKVGSQYRLED
SVTYHCSRGLTLRGSQRRTCQEGGSWSGTEPSCQDSFMYDTPQEVAEAFL
SSLTETKRKIVLDPSGSMNIYLVLDGSGSIGASDFTGAKKCLVNLIEKVA
SYGVKPRYGLVTYATYPKIWVKVSEADSSNADWVTKQLNEINYEDHKLKS
GTNTKKALQAVYSMMSWPVPPEGWNRTRHVIILMTDGLHNMGGDPITVID
EIRDLLYIGKDRKNPREDYLDVYVFGVGPLVNQVNINALASKKDNEQHVF
KVKDMENLEDVFYQMIDESQSLSLCGMVWEHRKGTDYHKQPWQAKISVIR
HESCMGAVVSEYFVLTAAHCFTVHSIKVSVGGEKRDLEIEVVLFHPNYNI
NGKKEAGIPEFYDYDVALIKLKNKLKYGQTIRPICLPCTEGTTRALRLPP
TTTCQQQKEELLPAQDIKALFVSEEEKKLTRKEVYIKNGDKKGSCERDAQ
YAPGYDKVKDISEVVTPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRF
IQVGVISWGVVDVCKNQKRQKQVPAHARDFHINLFQVLPWLKEKLQDEDL
GFLA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3hs0 Chain I Residue 742 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hs0 Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S253 S255 T328
Binding residue
(residue number reindexed from 1)		S227 S229 T302
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G672 S674 G675
Catalytic site (residue number reindexed from 1) G636 S638 G639
Enzyme Commision number 3.4.21.47: alternative-complement-pathway C3/C5 convertase.
Gene Ontology
Molecular Function
GO:0001848 complement binding
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
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:0005886 plasma membrane
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3hs0, PDBe:3hs0, PDBj:3hs0
PDBsum3hs0
PubMed19574954
UniProtP00751|CFAB_HUMAN Complement factor B (Gene Name=CFB)

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