Structure of PDB 7oon Chain A Binding Site BS01

Receptor Information
>7oon Chain A (length=184) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLFGSVETWPWQVLSTGGKEDVSYEERACEGGKFATVEVTDKPVDEALR
EAMPKIMKYVGGTNDKGVGMGMTVPVSFAVFPNEDGSLQKKLKVWFRIPN
QFQGSPPAPSDESVKIEEREGITVYSTQFGGYAKEADYVAHATQLRTTLE
GTPATYQGDVYYCAGYDPPMKPYGRRNEVWLVKA
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain7oon Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oon The SOUL family of heme-binding proteins: Structure and function 15 years later
Resolution2.8 Å
Binding residue
(original residue number in PDB)		M59 P60 M63 M78 D173 P174 P175
Binding residue
(residue number reindexed from 1)		M53 P54 M57 M72 D167 P168 P169
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042168 heme metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7oon, PDBe:7oon, PDBj:7oon
PDBsum7oon
PubMed
UniProtQ9R257|HEBP1_MOUSE Heme-binding protein 1 (Gene Name=Hebp1)

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