Structure of PDB 8aav Chain H Binding Site BS02

Receptor Information
>8aav Chain H (length=172) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSQVRQNYHQDSEEAINRQINLELYASYVYLSMSYYFDRDDVALKNFACY
FLHQSHEERCHAEKLMKLQNQRGGRIFLQDIQKPDEDDWESGLNAMEEAL
ELEKNVNQSLLELHKLATDKNDPHLADFIETHYLNEQVCAIKELGDHVTN
LRKMGAPESGLAEYLFDKHTLG
Ligand information
Ligand IDO3K
InChIInChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)
InChIKeyRZTGBAJAVREPOB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCCCNC(=O)CBr
FormulaC12 H24 Br N O
Name2-bromanyl-N-decyl-ethanamide;
2-bromo-N-decyl acetamide (C10)
ChEMBL
DrugBank
ZINC
PDB chain8aav Chain H Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aav Assembly of chemically modified protein nanocages into 3D materials for the adsorption of uremic toxins.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S38 Y39 A52 C53 L56
Binding residue
(residue number reindexed from 1)		S34 Y35 A48 C49 L52
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0140315 iron ion sequestering activity
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
GO:0006955 immune response
GO:0008285 negative regulation of cell population proliferation
GO:0048147 negative regulation of fibroblast proliferation
GO:0110076 negative regulation of ferroptosis
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005776 autophagosome
GO:0005829 cytosol
GO:0016020 membrane
GO:0031410 cytoplasmic vesicle
GO:0044754 autolysosome
GO:0070062 extracellular exosome
GO:0070288 ferritin complex
GO:1904724 tertiary granule lumen
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8aav, PDBe:8aav, PDBj:8aav
PDBsum8aav
PubMed36504125
UniProtP02794|FRIH_HUMAN Ferritin heavy chain (Gene Name=FTH1)

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