Structure of PDB 8gzu Chain c1 Binding Site BS02

Receptor Information
>8gzu Chain c1 (length=674) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSVNNYFYYLDRIKKLFTYLNDLRKHILKKYVYTINHKRIAINYLYFSMV
TGLSGAALATMIRLELAHPGSPFFKGDSLRYLQVVTAHGLIMVFFVVVPI
LFGGFANFLIPYHVGSKDVAYPRLNSIGFWIQPCGYILLAKIGFLRPQFW
RYYDKTSFSFPFLEKMKYNQYKEYKNDYLFYLDFLKKEITDDHSFFWKAR
KVIKLPQYSVFSFVPLKLMMWKTMINYPESFWYAASRVVQSRRKKVFVTK
CSARTLTTAGWTFITPFSSNIKYTGVGSQDILILSVVFAGISTTISFTNL
LITRRTLAMPGLRHRRVLMPFVTISIFLTLRMLATITPVLGAAVIMMAFD
RHWQTTFFEYAYGGDPILSQHLFWFFGHPEVYVLIIPTFGFINMIVPHNN
TRRVASKHHMIWAIYVMAYMGYLVWGHHMYLVGLDHRSRTMYSTITIMIS
MPATIKVVNWTLSLVNGALKIDLPFLFSMSFLLLFLVAGFTGMWLSHVSL
NVSMHDTFYVVAHFHIMLSGAAMTGIFSGIYYYFNALFGVKYSRMFGYMH
LIYYSGGQWVAFVPLFYLGFSGMPRRIHDYPVVFMGWHSMSTTGHFITLV
GIIFFFLMMFDSHIERRASTSTTLGLPRWYKRISYYIFKIRYLQHTKSKM
NGIPGSTVRLMLINRHFVEYEVYE
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 chain8gzu Chain c1 Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gzu Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution4.18 Å
Binding residue
(original residue number in PDB)		V394 I398 A466 G502 G505 L508 F527 M530
Binding residue
(residue number reindexed from 1)		V381 I385 A453 G489 G492 L495 F514 M517
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8gzu, PDBe:8gzu, PDBj:8gzu
PDBsum8gzu
PubMed37248254
UniProtQ950Y4

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