Structure of PDB 1rs0 Chain A Binding Site BS02

Receptor Information
>1rs0 Chain A (length=480) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMNIYLVLDGSDSIGASNFTGAKKVLVNLIEKVASYGVKPRYGLVTYATY
PKIWVKVSEADSSNADWVTKQLNEINYEDHKLKSGTNTKKALQAVYSMMS
WPGWNRTRHVIILMTDGLHNMGGDPITVIDEIRDLLYIGKDRNPREDYLD
VYVFGVGPLVNQVNINALASKKDNEQHVCKVKDMECLEDVFYQMIDESQS
LSLCGMVWEHRKGTDYHKQPWQAKISVIRKGHESCMGAVVSEYFVLTAAH
CFTVDDKEHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDYD
VALIKLKNKLKYGQTIRPICLPCTEGTTRALRLPPTTTCQQQKEELLPAQ
DIKALFVSEEEKKLTRKEVYIKNGDKKGSCERDAQYAPGYDKVKDISEVV
TPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQVGVISWGVVDVCV
PAHARDFHINLFQVLPWLKEKLQDEDLGFL
Ligand information
Ligand IDDFP
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)O[PH](=O)OC(C)C
OpenEye OEToolkits 1.5.0CC(C)OP(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)OC(C)C
FormulaC6 H15 O3 P
NameDIISOPROPYL PHOSPHONATE
ChEMBL
DrugBankDB04491
ZINCZINC000100018862
PDB chain1rs0 Chain A Residue 750 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rs0 Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H501 C670 R671 G672 S674 S693
Binding residue
(residue number reindexed from 1)		H250 C419 R420 G421 S423 S442
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H501 D551 G672 S674 G675
Catalytic site (residue number reindexed from 1) H250 D300 G421 S423 G424
Enzyme Commision number 3.4.21.47: alternative-complement-pathway C3/C5 convertase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0006956 complement activation
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rs0, PDBe:1rs0, PDBj:1rs0
PDBsum1rs0
PubMed15068800
UniProtP00751|CFAB_HUMAN Complement factor B (Gene Name=CFB)

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