Structure of PDB 1ppj Chain B Binding Site BS01

Receptor Information
>1ppj Chain B (length=424) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVPPHPQDLEFTRLPNGLVIASLENYAPASRIGLFIKAGSRYENSNNLGT
SHLLRLASSLTTKGASSFKITRGIEAVGGKLSVTSTRENMAYTVECLRDD
VDILMEFLLNVTTAPEFRRWEVAALQPQLRIDKAVALQNPQAHVIENLHA
AAYRNALANSLYCPDYRIGKVTPVELHDYVQNHFTSARMALIGLGVSHPV
LKQVAEQFLNIRGGLGLSGAKAKYHGGEIREQNGDSLVHAALVAESAAIG
SAEANAFSVLQHVLGAGPHVKRGSNATSSLYQAVAKGVHQPFDVSAFNAS
YSDSGLFGFYTISQAASAGDVIKAAYNQVKTIAQGNLSNPDVQAAKNKLK
AGYLMSVESSEGFLDEVGSQALAAGSYTPPSTVLQQIDAVADADVINAAK
KFVSGRKSMAASGNLGHTPFIDEL
Ligand information
Ligand IDJZR
InChIInChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyJVAZJLFFSJARQM-RMPHRYRLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 1.7.0CCCCCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.352CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.352CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
FormulaC12 H24 O6
Namehexyl beta-D-glucopyranoside;
hexyl beta-D-glucoside;
hexyl D-glucoside;
hexyl glucoside
ChEMBL
DrugBank
ZINCZINC000004521560
PDB chain1ppj Chain S Residue 2011 [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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PDB1ppj Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L75 S82 E136 A139 L140
Binding residue
(residue number reindexed from 1)		L60 S67 E121 A124 L125
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H67 R70 L71 L140 D147
Catalytic site (residue number reindexed from 1) H52 R55 L56 L125 D132
Enzyme Commision number 1.10.2.2: Transferred entry: 7.1.1.8.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ppj, PDBe:1ppj, PDBj:1ppj
PDBsum1ppj
PubMed16024040
UniProtP23004|QCR2_BOVIN Cytochrome b-c1 complex subunit 2, mitochondrial (Gene Name=UQCRC2)

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