Structure of PDB 1rtk Chain A Binding Site BS01

Receptor Information
>1rtk Chain A (length=486) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMNIYLVLDGSDSIGASNFTGAKKVLVNLIEKVASYGVKPRYGLVTYATY
PKIWVKVSEADSSNADWVTKQLNEINYEDHKLKSGTNTKKALQAVYSMMS
WPGWNRTRHVIILMTDGLHNMGGDPITVIDEIRDLLYIGKDRKNPREDYL
DVYVFGVGPLVNQVNINALASKKDNEQHVCKVKDMECLEDVFYQMIDESQ
SLSLCGMVWEHRKGTDYHKQPWQAKISVIRKGHESCMGAVVSEYFVLTAA
HCFTVDDKEHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDY
DVALIKLKNKLKYGQTIRPICLPCTEGTTRALRLPPTTTCQQQKEELLPA
QDIKALFVSEEEKKLTRKEVYIKNGDKKGSCERDAQYAPGYDKVKDISEV
VTPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQVGVISWGVVDVC
KRQKQVPAHARDFHINLFQVLPWLKEKLQDEDLGFL
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 chain1rtk Chain A Residue 749 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rtk Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S253 S255 T328
Binding residue
(residue number reindexed from 1)		S11 S13 T86
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H501 D551 G672 S674 G675
Catalytic site (residue number reindexed from 1) H251 D301 G422 S424 G425
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:1rtk, PDBe:1rtk, PDBj:1rtk
PDBsum1rtk
PubMed15068800
UniProtP00751|CFAB_HUMAN Complement factor B (Gene Name=CFB)

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