Structure of PDB 6hgm Chain A Binding Site BS01

Receptor Information
>6hgm Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LASANVDFAFSLYKQLVLKAPDKNVIFSPVSISTALAFLSLGAHNTTLTE
ILKGLKFNLTETSEAEIHQSFQHLLRTLNLQLSMGNAMFVKEQLSLLDRF
TEDAKRLYGSEAFATDFQDSAAAKKLINDYVKNGTRGKITDLIKDLDSQT
MMVLVNYIFFKAKWEMPFDPQDTHQSRFYLSKKKWVMVPMMSLHHLTIPY
FRDEELSCTVVQLNYTGNASVFFILPDQDKMEEVEAMLSRETLARWGDSL
EFREIGELYLPKFSISRDYNLNDILLQLGIEEAFTSKADLSGITGARNLA
VSQVVHKAVLDVFEEGTERSAATAVKITLL
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 chain6hgm 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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PDB6hgm NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
Resolution1.369 Å
Binding residue
(original residue number in PDB)		D259 E263
Binding residue
(residue number reindexed from 1)		D229 E233
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005515 protein binding
Biological Process
GO:0006953 acute-phase response
GO:0006954 inflammatory response
GO:0010466 negative regulation of peptidase activity
GO:0019216 regulation of lipid metabolic process
GO:0030277 maintenance of gastrointestinal epithelium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0031093 platelet alpha granule lumen
GO:0034774 secretory granule lumen
GO:0035578 azurophil granule lumen
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6hgm, PDBe:6hgm, PDBj:6hgm
PDBsum6hgm
PubMed31103428
UniProtP01011|AACT_HUMAN Alpha-1-antichymotrypsin (Gene Name=SERPINA3)

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