Structure of PDB 7tgh Chain 3d Binding Site BS02

Receptor Information
>7tgh Chain 3d (length=285) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WGIKGYEELVTEVGTHKGHNYWPQFSFLGTYDSGSVRRGFQVFARNCGNC
HGMIYKKYDYLLDKAYRQLELAQMVSDFTIHPAHQHFKQYYYQEWDERDR
VICDHIYPPYFSQDQAKNANGGVWPTDFSKIKLRPGGINYIYNISTGYHF
TPPFGMDVPKGKYFNPYFDHMIIGMPRQLVDGLVDYDDGTPASTPQMAYD
VSNFINFMQRRVGYKRPDKMVRYYMVFTGGLLILPFKYFKTKAYYRNLLS
LRWEMYAVRDGVYYNHFKYGGYNSRAYQFRGYFWA
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain7tgh Chain 3d 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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PDB7tgh Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N80 C81 C84 H85 N154 P159 T160 F162 R168 Y174 I178 F202 M209
Binding residue
(residue number reindexed from 1)		N46 C47 C50 H51 N120 P125 T126 F128 R134 Y140 I144 F168 M175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
Cellular Component
GO:0005739 mitochondrion
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tgh, PDBe:7tgh, PDBj:7tgh
PDBsum7tgh
PubMed35357889
UniProtQ24IM5

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