Structure of PDB 2xn6 Chain A Binding Site BS01

Receptor Information
>2xn6 Chain A (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYKMSSINADFAFNLYRRFTVETPDKNIFFSPVSISAALVMLSFGACCST
QTEIVETLGFNLTDTPMVEIQHGFQHLICSLNFPKKELELQIGNALFIGK
HLKPLAKFLNDVKTLYETEVFSTDFSNISAAKQEINSHVEMQTKGKVVGL
IQDLKPNTIMVLVNYIHFKAQWANPFDPSKTEDSSSFLIDKTTTVQVPMM
HQMDQYYHLVDMELNCTVLQMDYSKNALALFVLPKEGQMESVEAAMSSKT
LKKWNRLLQKGWVDLFVPKFSISATYDLGATLLKMGIQHAYSENADFSGL
TEDNGLKLSNAAHKAVLHIGEKGTEAAGAMFLEAIPR
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 chain2xn6 Chain A Residue 1356 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xn6 Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
Resolution1.29 Å
Binding residue
(original residue number in PDB)		Q109 H185
Binding residue
(residue number reindexed from 1)		Q91 H167
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
Cellular Component
GO:0005615 extracellular space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2xn6, PDBe:2xn6, PDBj:2xn6
PDBsum2xn6
PubMed21325280
UniProtP05543|THBG_HUMAN Thyroxine-binding globulin (Gene Name=SERPINA7)

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