Structure of PDB 8bzy Chain A Binding Site BS01

Receptor Information
>8bzy Chain A (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADYLTSAKFLLYLGHSLSTWGDRMWHFAVSVFLVELYGNSLLLTAVYGLV
VAGSVLVLGAIIGDWVDKNARLKVAQTSLVVQNVSVILCGIILMMVFLHK
HELLTMYHGWVLTSCYILIITIANIANLASTATAITIQRDWIVVVAGEDR
SKLANMNATIRRIDQLTNILAPMAVGQIMTFGSPVIGCGFISGWNLVSMC
VEYVLLWKVYQKTPALAVKSQMAEPFRTFRDGWVSYYNQPVFLAGMGLAF
LYMTVLGFDCITTGYAYTQGLSGSILSILMGASAITGIMGTVAFTWLRRK
CGLVRTGLISGLAQLSCLILCVISVFMPSVPIISVSLLFAGVIAARIGLW
SFDLTVTQLLQENVIESERGIINGVQNSMNYLLDLLHFIMVILAPNPEAF
GLLVLISVSFVAMGHIMYFRFAQNTLGNK
Ligand information
Ligand IDSZU
InChIInChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)
InChIKeyKNYVRFXIVWUGBZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)CCNCCc3nc(co3)C(=O)NCc4c(cccn4)F
CACTVS 3.385Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2
FormulaC21 H21 F N6 O2
Name2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
ChEMBLCHEMBL4596566
DrugBankDB17692
ZINC
PDB chain8bzy Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8bzy Structures of ferroportin in complex with its specific inhibitor vamifeport.
Resolution3.24 Å
Binding residue
(original residue number in PDB)		V68 L317 Y318 T320 L322 G323 T329 R466 L469 W470 D473 D504 H507 F508
Binding residue
(residue number reindexed from 1)		V51 L251 Y252 T254 L256 G257 T263 R346 L349 W350 D353 D384 H387 F388
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005381 iron ion transmembrane transporter activity
GO:0005515 protein binding
GO:0015093 ferrous iron transmembrane transporter activity
GO:0017046 peptide hormone binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0002260 lymphocyte homeostasis
GO:0003158 endothelium development
GO:0006366 transcription by RNA polymerase II
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006915 apoptotic process
GO:0034755 iron ion transmembrane transport
GO:0043066 negative regulation of apoptotic process
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048536 spleen development
GO:0051649 establishment of localization in cell
GO:0055085 transmembrane transport
GO:0060345 spleen trabecula formation
GO:0060586 multicellular organismal-level iron ion homeostasis
GO:1903988 iron ion export across plasma membrane
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0008021 synaptic vesicle
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bzy, PDBe:8bzy, PDBj:8bzy
PDBsum8bzy
PubMed36943194
UniProtQ9NP59|S40A1_HUMAN Ferroportin (Gene Name=SLC40A1)

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