Structure of PDB 4ph7 Chain D Binding Site BS01

Receptor Information
>4ph7 Chain D (length=407) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTDDIDEDDESGHNIILNIISQLRPGCDLTRITLPTFILEKKSMLERVTN
QLQFPEFLLQAHSEKDPLKRFLYVMKWYLAGWHIAPKAVKKPLNPVLGEY
FTAYWDLPNKQQAYYISEQTSHHPPECAYFYMIPESSIRVDGVVIPKSRF
LGNSSAAMMDGSTVLQFLDIKDGNGKPEKYVLTQPNVYVRGILFGKMRIE
LGDHMIIKSPNFQADIEFKTKGYVFGTYDAIEGTVKDYDGNAYYEISGKW
NDVMYLKDLKQPRSSPKVFLDTHKESPLRPKVRPLSEQGEYESRKLWKKV
TDALAVRNHPVATEEKFQIEDHQRQLAKKRIEDGVEFHPKLFRRSKPGED
LDYCIYKNIPVDEDPEKQIRSILQIAPILPGQQFTDKFFIPAFEKIKSQK
KMIENEK
Ligand information
Ligand ID2Y5
InChIInChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1
InChIKeyROKMWIUSHIHOGI-BWTMTLBLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
FormulaC47 H84 O16 P2
Name(2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;
Phosphatidylinositol-4-phosphate;
PI4P
ChEMBL
DrugBank
ZINCZINC000150349227
PDB chain4ph7 Chain D Residue 501 [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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PDB4ph7 INTRACELLULAR TRANSPORT. Phosphatidylserine transport by ORP/Osh proteins is driven by phosphatidylinositol 4-phosphate.
Resolution2.55 Å
Binding residue
(original residue number in PDB)
L64 R66 I67 T68 L69 R82 Q86 K125 K126 N129 H157 H158 Y164 P181 S183 A192 V222 I227 K351 E355 R359
Binding residue
(residue number reindexed from 1)
L29 R31 I32 T33 L34 R47 Q51 K90 K91 N94 H122 H123 Y129 P146 S148 A157 V187 I192 K316 E320 R324
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001786 phosphatidylserine binding
GO:0005548 phospholipid transporter activity
GO:0008289 lipid binding
GO:0010314 phosphatidylinositol-5-phosphate binding
GO:0032934 sterol binding
GO:0043325 phosphatidylinositol-3,4-bisphosphate binding
GO:0070273 phosphatidylinositol-4-phosphate binding
GO:0070300 phosphatidic acid binding
GO:0080025 phosphatidylinositol-3,5-bisphosphate binding
GO:0120015 sterol transfer activity
Biological Process
GO:0006869 lipid transport
GO:0006887 exocytosis
GO:0006897 endocytosis
GO:0015914 phospholipid transport
GO:0015918 sterol transport
GO:0016125 sterol metabolic process
GO:0030011 maintenance of cell polarity
GO:0034727 piecemeal microautophagy of the nucleus
GO:0055092 sterol homeostasis
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032541 cortical endoplasmic reticulum

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Molecular Function

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Biological Process

View graph for
Cellular Component
External links
PDB RCSB:4ph7, PDBe:4ph7, PDBj:4ph7
PDBsum4ph7
PubMed26206936
UniProtQ02201|OSH6_YEAST Oxysterol-binding protein homolog 6 (Gene Name=OSH6)

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