Structure of PDB 2d6c Chain B Binding Site BS01

Receptor Information
>2d6c Chain B (length=151) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLK
TEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELG
Y
Ligand information
Ligand IDHME
InChIInChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31;/h11-14H,7-10,15-16H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+4/p-2/b13-11-,14-12-,25-11-,26-12-,27-13-,28-14-,32-31-,34-33-;
InChIKeyBSPLEMXAVNPTCC-BWTHIWHLSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C
CACTVS 3.341CCc1c(C)c2n3c1C=CC4=[N+]5C(=C6N7C(=CC=C8C(=C(C)C2=[N+]8[Fe]357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O
ACDLabs 10.04O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O
CACTVS 3.341CCc1c(C)c2n3c1C=CC4=[N+]5C(=C6N7C(=CC=C8C(=C(C)C2=[N+]8[Fe@]357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O
FormulaC34 H36 Fe N4 O4
NamePORPHYCENE CONTAINING FE
ChEMBL
DrugBank
ZINC
PDB chain2d6c Chain B Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2d6c Crystal structure and peroxidase activity of myoglobin reconstituted with iron porphycene
Resolution2.26 Å
Binding residue
(original residue number in PDB)		F43 L89 H93 H97 Y103 I107
Binding residue
(residue number reindexed from 1)		F43 L89 H93 H97 Y103 I107
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.-
1.7.-.-
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005344 oxygen carrier activity
GO:0016491 oxidoreductase activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0098809 nitrite reductase activity
Biological Process
GO:0015671 oxygen transport
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0005737 cytoplasm
GO:0016528 sarcoplasm
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2d6c, PDBe:2d6c, PDBj:2d6c
PDBsum2d6c
PubMed17173408
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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