Structure of PDB 8hd8 Chain D Binding Site BS01
Receptor Information
>8hd8 Chain D (length=239) 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
IGDTSWGSGCAKAYRPGVYGNVMVFTDWIYRQMRADGEF
Ligand information
Ligand ID
GBS
InChI
InChI=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)
InChIKey
SXTSBZBQQRIYCU-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O
CACTVS 3.385
NC(=N)Nc1ccc(cc1)C(O)=O
ACDLabs 12.01
NC(=N)Nc1ccc(cc1)C(=O)O
OpenEye OEToolkits 2.0.7
c1cc(ccc1C(=O)O)NC(=N)N
Formula
C8 H9 N3 O2
Name
4-carbamimidamidobenzoic acid;
Nafamostat, bound form
ChEMBL
CHEMBL20767
DrugBank
DB02459
ZINC
ZINC000000155851
PDB chain
8hd8 Chain D Residue 601 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
8hd8
Crystal structure of TMPRSS2 in complex with 212-148
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
D435 S436 C437 Q438 S441 W461 G462 G464
Binding residue
(residue number reindexed from 1)
D180 S181 C182 Q183 S186 W206 G207 G209
Annotation score
1
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:8hd8
,
PDBe:8hd8
,
PDBj:8hd8
PDBsum
8hd8
PubMed
37990007
UniProt
O15393
|TMPS2_HUMAN Transmembrane protease serine 2 (Gene Name=TMPRSS2)
[
Back to BioLiP
]