Structure of PDB 1rtk Chain A Binding Site BS02

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 IDGBS
InChIInChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
InChIKeySXTSBZBQQRIYCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O
CACTVS 3.385NC(=N)Nc1ccc(cc1)C(O)=O
ACDLabs 12.01NC(=N)Nc1ccc(cc1)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)O)NC(=N)N
FormulaC8 H9 N3 O2
Name4-carbamimidamidobenzoic acid;
Nafamostat, bound form
ChEMBLCHEMBL20767
DrugBankDB02459
ZINCZINC000000155851
PDB chain1rtk Chain A Residue 750 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		H501 R671 S674 S693 W694 G695 V697 D698
Binding residue
(residue number reindexed from 1)		H251 R421 S424 S443 W444 G445 V447 D448
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1rtk, PDBe:1rtk, PDBj:1rtk
PDBsum1rtk
PubMed15068800
UniProtP00751|CFAB_HUMAN Complement factor B (Gene Name=CFB)

[Back to BioLiP]