Structure of PDB 8v1f Chain B Binding Site BS01

Receptor Information
>8v1f Chain B (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGESALPGAWPWQVSLHVQNVHVCGGSIITPEWIVTAAHCVEKPLNNP
WHWTAFAGILRQSFMFYGAGYQVEKVISHPNYDSKTKNNDIALMKLQKPL
TFNDLVKPVCLPNPGMMLQPEQLCWISGWGATEEKGKTSEVLNAAKVLLI
ETQRCNSRYVYDNLITPAMICAGFLQGNVDSCQGDSGGPLVTSKNNIWWL
IGDTSWGSGCAKAYRPGVYGNVMVFTDWIYRQMRADGEFVE
Ligand information
Ligand ID7R8
InChIInChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)
InChIKeyULKSSXOMKDEKPC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(cc2)O)C(=N)N
CACTVS 3.385NC(=N)c1ccc2cc(O)ccc2c1
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc2cc(ccc2c1)O)/N
FormulaC11 H10 N2 O
Name6-oxidanylnaphthalene-2-carboximidamide
ChEMBL
DrugBank
ZINCZINC000002516802
PDB chain8v1f Chain B Residue 604 [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]
PDB8v1f TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
Resolution2.19 Å
Binding residue
(original residue number in PDB)		D435 S436 Q438 W461 G462 G464
Binding residue
(residue number reindexed from 1)		D180 S181 Q183 W206 G207 G209
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.122: transmembrane protease serine 2.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8v1f, PDBe:8v1f, PDBj:8v1f
PDBsum8v1f
PubMed
UniProtO15393|TMPS2_HUMAN Transmembrane protease serine 2 (Gene Name=TMPRSS2)

[Back to BioLiP]