Structure of PDB 8iuj Chain C1 Binding Site BS02

Receptor Information
>8iuj Chain C1 (length=495) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MINNIMHMINKYTLTTSHKIIGILYGYMGYIAGILGYIISMLIRMELNTQ
GLAIVRKVKEVTIYNNWITIHGLIMLFVFIMPVGIGFYGNYLIPMLIGTS
ELSMPRMNGISFWMLIVGVVIFVISNVLMSKPISSGWTLYPPLSTRDADN
IGVNIDLSLLVVHVLGISSTIGSVNYITTNKYNRHVGLTFMNINIYNFSI
IVTSILLIGSLPILGVAITGLLLDRNINSTIYDVIGDPVLYQHLFWFFGH
PEVYVIILPVFGLTSLILTSIIHKDIFGREGMMYCIISIGVVGYFVWAHH
MFTVGLDIDSRSYFSIATSIISIPTSVKMFSYINTWASGRGFRGNNSSWS
FFSFLICFCFGGFTGLLLSSGSLDIMLHDTYFVVGHFHTVLSLAATFGLL
IAHYFFLPIIFSYSIFESFSFYHTFLLLVGALLVFYPMHLAGLSGMARRV
PEYADIFIPFMTVGFHGTFLLIFSTLTFIRSYFQFLSHINHSNYL
Ligand information
Ligand IDHEA
InChIInChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;/t46-;/m0./s1
InChIKeyZGGYGTCPXNDTRV-PRYGPKJJSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C
CACTVS 3.370CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O)C1=C(C)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(C=O)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O
CACTVS 3.370CC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(C=O)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O
OpenEye OEToolkits 1.7.2Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)CCC(=O)O)C
ACDLabs 12.01O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C=6C=C7C(C=O)=C(C8=CC1=N2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C(O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C)/C=C)C
FormulaC49 H56 Fe N4 O6
NameHEME-A
ChEMBL
DrugBank
ZINC
PDB chain8iuj Chain C1 Residue 502 [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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PDB8iuj Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		Y30 Y37 S40 R44 Y64 H71 M75 L76 F79 W137 Y381 F387 H388 S392 F435 R449
Binding residue
(residue number reindexed from 1)		Y30 Y37 S40 R44 Y64 H71 M75 L76 F79 W137 Y381 F387 H388 S392 F435 R449
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006119 oxidative phosphorylation
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8iuj, PDBe:8iuj, PDBj:8iuj
PDBsum8iuj
PubMed38388527
UniProtQ34463

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