Structure of PDB 7zrn Chain B Binding Site BS01

Receptor Information
>7zrn Chain B (length=301) Species: 56 (Sorangium cellulosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALLCPFPATTPHPQAAQLANDCLEWTRKCGLLPDESPRTLDKVRSYSALA
AHCYPDAHFERLRAICDYYSWLFFFDDVCENTSLNGAEPKVVSSLLFDVY
GVLRGHAPFAQALADIWRRIGDGCPGFWRRRLIRHVENYIDGCVWEAQNR
QLDRVPSRAVFEGMRMHTSTMYEFWDFIEYAGDLFLPDEVVEHPLVAEVR
RAGNAIASFANDIYSLRKETSNRDVHNLVVVLMHEERIELEAAYARAAGI
HDAQVEHFLDLVKHLPTFSATIDRNLARYVEGIRIWIRANHDWSIVTPRY
N
Ligand information
Ligand IDPPV
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)O
CACTVS 3.341O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)O
FormulaH4 O7 P2
NamePYROPHOSPHATE
ChEMBLCHEMBL1160571
DrugBankDB04160
ZINCZINC000006827695
PDB chain7zrn Chain B 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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PDB7zrn How a 10- epi-Cubebol Synthase Avoids Premature Reaction Quenching to Form a Tricyclic Product at High Purity.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		R202 N248 S252 K255 E256 R336 Y337
Binding residue
(residue number reindexed from 1)		R165 N211 S215 K218 E219 R299 Y300
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.3.175: 10-epi-cubebol synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7zrn, PDBe:7zrn, PDBj:7zrn
PDBsum7zrn
PubMed36249875
UniProtA9GK58|ECUBS_SORC5 10-epi-cubebol synthase (Gene Name=sce6369)

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