Structure of PDB 3ayf Chain A Binding Site BS06

Receptor Information
>3ayf Chain A (length=754) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTNSFLKSILIFTILISSTVLLVGGYWIFKEMAPRPKEVRSESGEVLMTK
ETIIGGQAVFQKYGLMDYGTVLGHGSYMGPDYTAEALKVYTEGMQDYKAK
ADLTDDEKSIIREQVIKEMRKNRYNPVTDVLVLTDAQVYGLEKVRDYYRD
VFTNGDGWGLKKGLIKESDMPKANRAWVADSDQIQQIADFFFWTAWLSST
LRIGDEITYTNNWPYYEDAGNTMSFSAVWWSGASVTILILFIGIILYVFY
RYQLSMQEAYAEGKFPVIDLRRQPLTPSQVKAGKYFVVVSALFFVQTMFG
ALLAHYYTEPDSFFGINWIYDILPFNIAKGYHLQLAIFWIATAWLGMGIF
IAPLVGGQEPKKQGLLVDLLFWALVVLVGGSMIGQWLGVNGYLGNEWFLL
GHQGWEYIELGRIWQIILVVGMLLWLFIVFRGVKRGLKRESDKGGLIHLL
FYSAIAVPFFYIFAFFIQPDTNFTMADFWRWWIIHLWVEGIFEVFAVVVI
GFLLVQLRLVTKKSTVRALYFQFTILLGSGVIGIGHHYYYNGSPEVWIAL
GAVFSALEVIPLTLLILEAYEQYKMMRDGGANFPYKATFWFLISTAIWNL
VGAGVFGFLINLPAVSYFEHGQFLTPAHGHAAMMGVYGMFAIAVLLYSLR
NIVKPEAWNDKWLKFSCWMLNIGLAGMVVITLLPVGILQMKEAFIHGYWA
SRSPSFLQQDVVQNLLLVRAVPDTIFLIGVVALLVFAIKALFHLRKPTHG
EGEE
Ligand information
Ligand IDLOP
InChIInChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-12-10-8-6-4-2/h15-16,33H,3-14,17-32,36H2,1-2H3,(H,39,40)/b16-15-/t33-/m1/s1
InChIKeyFUUNMZKPCMPCHT-ILGKRYBBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.341CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC35 H68 N O8 P
Name(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE;
LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
ChEMBL
DrugBank
ZINCZINC000064437180
PDB chain3ayf Chain A Residue 810 [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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PDB3ayf Crystal structure of quinol-dependent nitric oxide reductase from Geobacillus stearothermophilus
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y596 W613 I616 S617 I620 W621 W691 N694
Binding residue
(residue number reindexed from 1)		Y573 W590 I593 S594 I597 W598 W668 N671
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
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:3ayf, PDBe:3ayf, PDBj:3ayf
PDBsum3ayf
PubMed22266822
UniProtB3Y963

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