Structure of PDB 1pp9 Chain A Binding Site BS01

Receptor Information
>1pp9 Chain A (length=442) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESE
KNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIK
ALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVF
NYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAA
GGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPL
AHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAAT
NKLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLCTSAT
ESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIA
EVDARVVREVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMF
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 chain1pp9 Chain A Residue 4002 [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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PDB1pp9 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)		P391 E394 S397 E401
Binding residue
(residue number reindexed from 1)		P391 E394 S397 E401
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y57 E60 H61 E130 E137
Catalytic site (residue number reindexed from 1) Y57 E60 H61 E130 E137
Enzyme Commision number 1.10.2.2: Transferred entry: 7.1.1.8.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1pp9, PDBe:1pp9, PDBj:1pp9
PDBsum1pp9
PubMed16024040
UniProtP31800|QCR1_BOVIN Cytochrome b-c1 complex subunit 1, mitochondrial (Gene Name=UQCRC1)

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