Structure of PDB 1hrs Chain A Binding Site BS01

Receptor Information
>1hrs Chain A (length=174) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVCHF
FRELAEEKREGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAI
VLEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTN
IQRLVGSQAGLGEYLFERLTLKHD
Ligand information
Ligand IDPP9
InChIInChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChIKeyFEDYMSUPMFCVOD-UJJXFSCMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
OpenEye OEToolkits 1.5.0Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
ACDLabs 10.04O=C(O)CCc5c2nc(cc4nc(cc1c(c(\C=C)c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(\C=C)=C4C)c5C
OpenEye OEToolkits 1.5.0Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
FormulaC34 H34 N4 O4
NamePROTOPORPHYRIN IX
ChEMBLCHEMBL1618319
DrugBank
ZINC
PDB chain1hrs Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hrs A crystallographic study of haem binding to ferritin.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L24 S27 Y28 L31 E56 R59 E63 L81
Binding residue
(residue number reindexed from 1)		L24 S27 Y28 L31 E56 R59 E63 L81
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0008199 ferric iron binding
GO:0046872 metal ion binding
Biological Process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0006880 intracellular sequestering of iron ion
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005776 autophagosome
GO:0031410 cytoplasmic vesicle
GO:0044754 autolysosome
GO:0070288 ferritin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hrs, PDBe:1hrs, PDBj:1hrs
PDBsum1hrs
PubMed15299370
UniProtP02791|FRIL_HORSE Ferritin light chain (Gene Name=FTL)

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