Structure of PDB 7dlh Chain A Binding Site BS01

Receptor Information
>7dlh Chain A (length=302) Species: 4540 (Panicum miliaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVARGLSYDFYKRSCPRAEAIVRSFVQDAVRRDVGLAAGLLRLHFHDCFV
QGCDASVLLDGSATGPAEKQAPPNLTLRPSAFKAINDIHDRLTRECGGSV
VSCSDVLALAARDSVVVSGGPSYRVPLGRRDSPSFATQQDVLAGLPPPTA
TVPALLAVLSKINLDATDLVALSGGHTIGLGHCTSFEGRLFPRPDPTLNA
TFAGRLRQTCPAKGTDRRTVLDVRTPNIFDNKYYVNLVNREGLFTSDQDL
FTNASTRVIVSKFARSQKSFFDQFTSSMVQMGQIKVLTGSQGQIRSNCSA
RN
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 chain7dlh Chain A Residue 401 [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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PDB7dlh Crystallization of Cationic Peroxidase from Proso Millet and Identification of Its Phosphatase Active Sites
Resolution1.789 Å
Binding residue
(original residue number in PDB)		A47 R51 F54 N83 R87 P156 P157 L181 H185 G188 L189 G190 H191 S194 R227 L230 F253
Binding residue
(residue number reindexed from 1)		A38 R42 F45 N74 R78 P147 P148 L172 H176 G179 L180 G181 H182 S185 R218 L221 F244
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.7: peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0140825 lactoperoxidase activity
Biological Process
GO:0006979 response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dlh, PDBe:7dlh, PDBj:7dlh
PDBsum7dlh
PubMed
UniProtA0A3L6SKP5

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