Structure of PDB 8hd8 Chain B Binding Site BS01

Receptor Information
>8hd8 Chain B (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSNSGIECDSSGTCINPSNWCDGVSHCPGGEDENRCVRLYGPNFILQVYS
SQRKSWHPVCQDDWNENYGRAACRDMGYKNNFYSSQGIVSTSFMKLNTSA
GNVDIYKKLYHSDACSSKAVVSLRCIACGVNLNDDDD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8hd8 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hd8 Crystal structure of TMPRSS2 in complex with 212-148
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N131 D134 V136 H138 D144 E145
Binding residue
(residue number reindexed from 1)		N19 D22 V24 H26 D32 E33
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.122: transmembrane protease serine 2.
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:8hd8, PDBe:8hd8, PDBj:8hd8
PDBsum8hd8
PubMed37990007
UniProtO15393|TMPS2_HUMAN Transmembrane protease serine 2 (Gene Name=TMPRSS2)

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