Structure of PDB 6kd5 Chain A Binding Site BS01

Receptor Information
>6kd5 Chain A (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGIRYKEQRESCPKHAVRCDGVVDCKLKSDELGCVRFDWDKSLLKIYSGS
SHQWLPICSSNWNDSYSEKTCQQLGFESAHRTTEVAHRDFANSFSILRYN
STIQESLHRSECPSQRYISLQCSHCGLRAMT
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 chain6kd5 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kd5 Crystal structure of inhibitor-bound human MSPL that can activate high pathogenic avian influenza.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V209 D212 V214 D216 D222 E223
Binding residue
(residue number reindexed from 1)		V17 D20 V22 D24 D30 E31
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6kd5, PDBe:6kd5, PDBj:6kd5
PDBsum6kd5
PubMed33820827
UniProtQ9BYE2|TMPSD_HUMAN Transmembrane protease serine 13 (Gene Name=TMPRSS13)

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