Structure of PDB 8ero Chain B Binding Site BS06

Receptor Information
>8ero Chain B (length=364) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSAQQLKKLEEHKYSASGRSLVEPPMQVYWNWLVEKVPLWLAPNTITMV
GLLLNVLSTLILVCYCPTATEGAPFWTYLLCAIGLFVYQSLDAIDGKQAR
RTNSSSPLGEMFDHGCDSISIVFVNLGTIAAVRLGTLPGWMFYCCFVGMF
MFYCAQWQTYVCGTLKFGIIDVTELQISVTVMFLMTAVCGPELWDYEIPF
TGLPMKTIPLLGIIGGTVYSCSNYFRVILSGGVGKNGSTVAGTSVLSPGL
HIGLVLLLALMIYKKSTTNLFLQNPCLYTLAFGFVSAKITIKLVIAHMTK
SEISLQDTAFIGPGLLFFNQYFNSFIDEYIVLWIAMVISFADLLRYCISV
CLQIATHLRISVFR
Ligand information
Ligand IDCDP
InChIInChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyZWIADYZPOWUWEW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
FormulaC9 H15 N3 O11 P2
NameCYTIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL425252
DrugBankDB04555
ZINCZINC000008215624
PDB chain8ero Chain B Residue 516 [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]
PDB8ero Substrate recognition and catalysis in eukaryotic cholinephosphotransferase-1
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Y34 P63 N64 D111 G115 A118 R119 G128
Binding residue
(residue number reindexed from 1)		Y15 P44 N45 D92 G96 A99 R100 G109
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.8.2: diacylglycerol cholinephosphotransferase.
Gene Ontology
Molecular Function
GO:0004142 diacylglycerol cholinephosphotransferase activity
GO:0016740 transferase activity
GO:0016780 phosphotransferase activity, for other substituted phosphate groups
GO:0046872 metal ion binding
Biological Process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0006657 CDP-choline pathway
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0000139 Golgi membrane
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ero, PDBe:8ero, PDBj:8ero
PDBsum8ero
PubMed37179328
UniProtQ4KLV1|CHPT1_XENLA Cholinephosphotransferase 1 (Gene Name=chpt1)

[Back to BioLiP]