Structure of PDB 7odz Chain A Binding Site BS01

Receptor Information
>7odz Chain A (length=307) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAQSTVLPMHCLYGIFLEGNLKIQKNDQEGLKKFKDNIKKFTLELDEID
KISPQSRIGGAICFSSDIWDTVTKKISKPKELKSVNTLSSYMPGTSQRDI
LIHIISDRMDTCFKLAQDTMRNFGEDQLDIKQEIHGFRRVEERDLTDFID
GTENPDGDELRTQYGLVAAGQPNEFGSYVFTQRYVHNLKKWYPEPLSVQQ
DTVGRTKKDSIEIPRDKRPITSHVSRTDLSENGKDLKIVRQSLPYGQITG
EKGLMFIAYACSLHNIEKQLQSMFGQLDGKHDLLLKYTTPVTGSFYFAPS
KKELLEL
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 chain7odz Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7odz Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum .
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D143 I148 G150 T151 E152 Y183 R204 H222 T226 D227 R239 L253 F255 Q268 M272 L283
Binding residue
(residue number reindexed from 1)		D144 I149 G151 T152 E153 Y184 R205 H223 T227 D228 R240 L254 F256 Q269 M273 L284
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0008150 biological_process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7odz, PDBe:7odz, PDBj:7odz
PDBsum7odz
PubMed34200865
UniProtQ556V8

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