Structure of PDB 7y0f Chain A Binding Site BS01

Receptor Information
>7y0f Chain A (length=128) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSGIECDTCINPSNWCDGVSHCPGGEDENRCVRLYGPNFILQVYSSQRKS
WHPVCQDDWNENYGRAACRDMGYKNNFYSSQGIVDDSGSTSFMKLNTSIY
KKLYHSDACSSKAVVSLRCIACGVNLND
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 chain7y0f Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7y0f Crystal structure of TMPRSS2 in complex with UK-371804
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N131 D134 V136 H138 D144 E145
Binding residue
(residue number reindexed from 1)		N14 D17 V19 H21 D27 E28
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:7y0f, PDBe:7y0f, PDBj:7y0f
PDBsum7y0f
PubMed37990007
UniProtO15393|TMPS2_HUMAN Transmembrane protease serine 2 (Gene Name=TMPRSS2)

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