Structure of PDB 2fpz Chain B Binding Site BS01

Receptor Information
>2fpz Chain B (length=243) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDV
KDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEP
VKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKV
PIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVC
KVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK
Ligand information
Ligand ID270
InChIInChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2
InChIKeyDERVZEOWPBCBHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CC2=NC(N=C2C=C1)N
ACDLabs 10.04N1=C2C=CC=CC2=NC1N
CACTVS 3.341NC1N=C2C=CC=CC2=N1
FormulaC7 H7 N3
Name2H-BENZOIMIDAZOL-2-YLAMINE;
ZK-800270
ChEMBL
DrugBankDB01665
ZINCZINC000034919930
PDB chain2fpz Chain B Residue 1001 [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]
PDB2fpz Structure-guided design of Peptide-based tryptase inhibitors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D189 S190 C191 Q192 G216 G219
Binding residue
(residue number reindexed from 1)		D188 S189 C190 Q191 G215 G217
Annotation score1
Binding affinityMOAD: Ki=110uM
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H44 D91 Q191 G192 D193 S194 G195
Enzyme Commision number 3.4.21.59: tryptase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0062023 collagen-containing extracellular matrix

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2fpz, PDBe:2fpz, PDBj:2fpz
PDBsum2fpz
PubMed16681368
UniProtP20231|TRYB2_HUMAN Tryptase beta-2 (Gene Name=TPSB2)

[Back to BioLiP]