Structure of PDB 5xte Chain V Binding Site BS02

Receptor Information
>5xte Chain V (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 chain5xte Chain V Residue 402 [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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PDB5xte Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		W31 G34 L37 G38 F90 H97 I98 S106 Y109 G116 H196 L197 L200 S205 N206
Binding residue
(residue number reindexed from 1)		W30 G33 L36 G37 F89 H96 I97 S105 Y108 G115 H195 L196 L199 S204 N205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L234 S238 N260 P261 I304
Catalytic site (residue number reindexed from 1) L233 S237 N259 P260 I303
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:5xte, PDBe:5xte, PDBj:5xte
PDBsum5xte
PubMed28844695
UniProtP00156|CYB_HUMAN Cytochrome b (Gene Name=MT-CYB)

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