Structure of PDB 4o6m Chain B Binding Site BS03

Receptor Information
>4o6m Chain B (length=341) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLAYVKNHEIYGEKLLGLTLRERIEKTLQRAGFDVRFFDELSLEEAEDY
LIILEPVLILERDLLLEGRKILVSDGFTVGYFFGGDFRTVFDGNLQSSIE
KYLSLNNLESYEIWAIKLSNDNLKTAEKLLLSSLIKAKRTGLKPAYYDGW
IAREINRKVSLRISRLLADTSVTPNQITVFSFFLSLVGSALFLLNSYLTT
LLAGVIIQLHSIIDGCDGEIARLKFMESKYGAWLDGVLDRYSDFIIVFSI
TYVLSASNPVYWIIGFLAAFASLMIAYTGDKFVAAYMRTYSPEGFAIPIT
RDFRLLIIFACSVVNLPSLALVIIALLGNFEALRRIVALRS
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain4o6m Chain B Residue 422 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4o6m Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Resolution1.901 Å
Binding residue
(original residue number in PDB)		K136 R157 P174 N175 T178 D217 G218 R222 E227 G231 A232
Binding residue
(residue number reindexed from 1)		K136 R157 P174 N175 T178 D217 G218 R222 E227 G231 A232
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016740 transferase activity
GO:0016780 phosphotransferase activity, for other substituted phosphate groups
GO:0046872 metal ion binding
Biological Process
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4o6m, PDBe:4o6m, PDBj:4o6m
PDBsum4o6m
PubMed24923293
UniProtO27985

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