Structure of PDB 6nhh Chain E Binding Site BS03

Receptor Information
>6nhh Chain E (length=430) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIPHDHYEPRTGIEKWLHSRLPIVALAYDTIMIPTPRNLNWMWIWGVVLA
FCLVLQIVTGIVLAMHYTPHVDLAFASVEHIMRNVNGGFMLRYLHANGAS
LFFIAVYLHIFRGLYYGSYKAPREVTWIVGMLIYLAMMATAFMGYVLPWG
QMSFWGATVITGLFGAIPGIGHSIQTWLLGGPAVDNATLNRFFSLHYLLP
FVIAALVAIHIWAFHSTGNNNPTGVEVRRTSKAEAQKDTVPFWPYFIIKD
VFALAVVLLVFFAIVGFMPNYLGHPDNYIEANPLSTPAHIVPEWYFLPFY
AILRAFTADVWVVQIANFISFGIIDAKFFGVLAMFGAILVMALVPWLDTS
PVRSGRYRPMFKIYFWLLAADFVILTWVGAQQTTFPYDWISLIASAYWFA
YFLVILPILGAIEKPVAPPATIEEDFNAHY
Ligand information
Ligand IDAZO
InChIInChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKeyWFDXOXNFNRHQEC-GHRIWEEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC
CACTVS 3.341COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
CACTVS 3.341CO\C=C(C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2
ACDLabs 10.04O=C(OC)\C(=C\OC)c3ccccc3Oc2ncnc(Oc1c(C#N)cccc1)c2
OpenEye OEToolkits 1.5.0COC=C(c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)C(=O)OC
FormulaC22 H17 N3 O5
NameMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE;
AZOXYSTROBIN
ChEMBLCHEMBL230001
DrugBankDB07401
ZINCZINC000013827839
PDB chain6nhh Chain E Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nhh Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		M140 F144 Y147 G158 I162 I292 P294 E295 Y297 F298 F301 M336 F337 I340
Binding residue
(residue number reindexed from 1)		M138 F142 Y145 G156 I160 I290 P292 E293 Y295 F296 F299 M334 F335 I338
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H217 N221 K251 D252 E295
Catalytic site (residue number reindexed from 1) H215 N219 K249 D250 E293
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
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:6nhh, PDBe:6nhh, PDBj:6nhh
PDBsum6nhh
PubMed31182483
UniProtQ3IY10

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