Structure of PDB 7js5 Chain A Binding Site BS01

Receptor Information
>7js5 Chain A (length=494) Species: 1890 (Streptomyces antibioticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPTPHLDAIERSLRDTSPGLEGSVWQRTDGNRLDAPDGDPAGWLLQTPGC
WGDAGCKDRAGTRRLLDKMTRNIADARHTVDISSLAPFPNGGFEDAVVDG
LKASVAAGHSPRVRILVGAAPIYHLNVVPSRYRDELIGKLGAAAGKVTLN
VASMTTSKTSLSWNASKLLVVDGKTAITGGINTNKDDYLDTAHPVSDVDM
ALSGPAARSAGKYLDTLWDWTCRNASDPAKVWLATSNGASCMPSMEQDEA
GSAPAEPTGDVPVIAVGGLGVGIKESDPSSGYHPDLPTAPDTKCTVGLHD
NTNADRDYDTVNPEENALRSLIASARSHVEISQQDLNATCPPLPRYDIRT
YDTLAGKLAAGVKVRIVVSDPANARSQIKSLDEISDTLRTRLVALTGDNE
KASRALCGNLQLASFRSSDAAKWADGKPYALHHKLVSVDDSAFYIGSKNL
YPAWLQDFGYIVESPAAAQQLKTELLDPEWKYSQQAAATPAGCP
Ligand information
Ligand IDIPD
InChIInChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
InChIKeyINAPMGSXUVUWAF-UOTPTPDRSA-L
SMILES
SoftwareSMILES
ACDLabs 12.01O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-])([O-])=O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
OpenEye OEToolkits 1.7.6C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
FormulaC6 H11 O9 P
NameD-MYO-INOSITOL-1-PHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain7js5 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7js5 Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L88 K170 Q337 H442 K444 N459 Y461
Binding residue
(residue number reindexed from 1)		L85 K167 Q334 H432 K434 N449 Y451
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.4: phospholipase D.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004630 phospholipase D activity
GO:0016787 hydrolase activity
GO:0030572 phosphatidyltransferase activity
Biological Process
GO:0016042 lipid catabolic process
GO:0032049 cardiolipin biosynthetic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7js5, PDBe:7js5, PDBj:7js5
PDBsum7js5
PubMed33843991
UniProtQ53728|PLD_STRAT Phospholipase D

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