Structure of PDB 5xti Chain AV Binding Site BS01

Receptor Information
>5xti Chain AV (length=378) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLFL
AMHYSPDASTAFSSIAHITRDVNYGWIIRYLHANGASMFFICLFLHIGRG
LYYGSFLYSETWNIGIILLLATMATAFMGYVLPWGQMSFWGATVITNLLS
AIPYIGTDLVQWIWGGYSVDSPTLTRFFTFHFILPFIIAALATLHLLFLH
ETGSNNPLGITSHSDKITFHPYYTIKDALGLLLFLLSLMTLTLFSPDLLG
DPDNYTLANPLNTPPHIKPEWYFLFAYTILRSVPNKLGGVLALLLSILIL
AMIPILHMSKQQSMMFRPLSQSLYWLLAADLLILTWIGGQPVSYPFTIIG
QVASVLYFTTILILMPTISLIENKMLKW
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 chain5xti Chain AV 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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PDB5xti Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Resolution17.4 Å
Binding residue
(original residue number in PDB)		L41 Q44 I45 G48 L49 R80 H83 A87 F90 H182 F183 P186
Binding residue
(residue number reindexed from 1)		L40 Q43 I44 G47 L48 R79 H82 A86 F89 H181 F182 P185
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
Biological Process
GO:0001666 response to hypoxia
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0007584 response to nutrient
GO:0009410 response to xenobiotic stimulus
GO:0009636 response to toxic substance
GO:0009725 response to hormone
GO:0014070 response to organic cyclic compound
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
GO:0031100 animal organ regeneration
GO:0033590 response to cobalamin
GO:0033762 response to glucagon
GO:0045333 cellular respiration
GO:0045471 response to ethanol
GO:0046686 response to cadmium ion
GO:0046688 response to copper ion
GO:0046689 response to mercury ion
GO:0051592 response to calcium ion
GO:0055093 response to hyperoxia
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xti, PDBe:5xti, PDBj:5xti
PDBsum5xti
PubMed28844695
UniProtP00156|CYB_HUMAN Cytochrome b (Gene Name=MT-CYB)

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