Structure of PDB 7y11 Chain A Binding Site BS01

Receptor Information
>7y11 Chain A (length=289) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTIEDIHDVEELRAVDEFRNLLVSENLLPPTLDDYHIMLRFLKARKFDIG
KTKLMWSNMIKWRKDFGTDTIFEDFEFEEFDEVLKYYPHGYHGVDKEGRP
VYIERLGLVDPAKLMQVTTVERFIRYHVREFEKTVNIKLPACCIAAKRHI
DSSTTILDVQGVGFKNFSKPARDLIIQLQKIDNDNYPETLHRMFIINGGS
GFKLVWATVKQFLDPKTVTKIHVIGNKYQNKLLEIIDASQLPDFLGGTCT
CADRGGCMRSDKGPWNDPEILKMLQSGGPLCRHNSALNS
Ligand information
Ligand IDD21
InChIInChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
InChIKeyOPVZUEPSMJNLOM-PGUFJCEWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC37 H71 O8 P
Name(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINC
PDB chain7y11 Chain A Residue 401 [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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PDB7y11 Arabidopsis Sec14 proteins (SFH5 and SFH7) mediate interorganelle transport of phosphatidic acid and regulate chloroplast development.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y163 Y178 L182 M191 L233 I251 Q255 T265 L266 M269
Binding residue
(residue number reindexed from 1)		Y87 Y102 L106 M115 L157 I175 Q179 T189 L190 M193
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7y11, PDBe:7y11, PDBj:7y11
PDBsum7y11
PubMed36716376
UniProtQ8GXC6|SFH5_ARATH Phosphatidylinositol/phosphatidylcholine transfer protein SFH5 (Gene Name=SFH5)

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