Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Structure of PDB 8dfu Chain O Binding Site BS02

Receptor Information
>8dfu Chain O (length=84) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADIVQMVEDLTGKLTALAWALFLLSWSIGWTLRGSPIPSSRIKRVGNSL
IEDSMWAALWLALGTTVFAVIVRLAGIVNEVLLG
Ligand information
Ligand IDRHR
InChIInChI=1S/C52H107O6P/c1-42(2)21-13-23-44(5)25-15-27-46(7)29-17-31-48(9)33-19-35-50(11)37-38-56-40-52(41-58-59(53,54)55)57-39-51(12)36-20-34-49(10)32-18-30-47(8)28-16-26-45(6)24-14-22-43(3)4/h42-52H,13-41H2,1-12H3,(H2,53,54,55)/t44-,45+,46-,47-,48-,49-,50+,51+,52-/m0/s1
InChIKeyLOOIOWMHQRRBDQ-UYUJORPFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 2.0.7C[C@H](CCC[C@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(C)C
ACDLabs 12.01CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(OCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COP(O)(=O)O
CACTVS 3.385CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(O)=O)OC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
CACTVS 3.385CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P](O)(O)=O)OC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C
FormulaC52 H107 O6 P
Name(2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain8dfu Chain O Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8dfu Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Resolution3.44 Å
Binding residue
(original residue number in PDB)		M56 W57
Binding residue
(residue number reindexed from 1)		M55 W56
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417