Structure of PDB 7w5z Chain c1 Binding Site BS01

Receptor Information
>7w5z Chain c1 (length=672) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNNYFYYLDRIKKLFTYLNDLRKHILKKYVYTINHKRIAINYLYFSMVTG
LSGAALATMIRLELAHPGSPFFKGDSLRYLQVVTAHGLIMVFFVVVPILF
GGFANFLIPYHVGSKDVAYPRLNSIGFWIQPCGYILLAKIGFLRPQFWRY
YDKTSFSFPFLEKMKYNQYKEYKNDYLFYLDFLKKEITDDHSFFWKARKV
IKLPQYSVFSFVPLKLMMWKTMINYPESFWYAASRVVQSRRKKVFVTKCS
ARTLTTAGWTFITPFSSNIKYTGVGSQDILILSVVFAGISTTISFTNLLI
TRRTLAMPGLRHRRVLMPFVTISIFLTLRMLATITPVLGAAVIMMAFDRH
WQTTFFEYAYGGDPILSQHLFWFFGHPEVYVLIIPTFGFINMIVPHNNTR
RVASKHHMIWAIYVMAYMGYLVWGHHMYLVGLDHRSRTMYSTITIMISMP
ATIKVVNWTLSLVNGALKIDLPFLFSMSFLLLFLVAGFTGMWLSHVSLNV
SMHDTFYVVAHFHIMLSGAAMTGIFSGIYYYFNALFGVKYSRMFGYMHLI
YYSGGQWVAFVPLFYLGFSGMPRRIHDYPVVFMGWHSMSTTGHFITLVGI
IFFFLMMFDSHIERRASTSTTLGLPRWYKRISYYIFKIRYLQHTKSKMNG
IPGSTVRLMLINRHFVEYEVYE
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 chain7w5z Chain c1 Residue 701 [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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PDB7w5z Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		M62 A72 I75 R76 Y94 V98 H101 M105 G273 W274 F527 H528 F540 F575 R588 R589 H608 F619
Binding residue
(residue number reindexed from 1)		M47 A57 I60 R61 Y79 V83 H86 M90 G258 W259 F512 H513 F525 F560 R573 R574 H593 F604
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w5z, PDBe:7w5z, PDBj:7w5z
PDBsum7w5z
PubMed35357889
UniProtQ950Y4

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