Structure of PDB 8t70 Chain B Binding Site BS06

Receptor Information
>8t70 Chain B (length=486) Species: 5207 (Cryptococcus neoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATEFTPSVYSLVSKPLPSNSRPSATLDEQAETEDLISQLFDLTADPNALV
SEHGKRYSGLRKQEHTQFLASSFFQLPGKFVSLDASRPWLVFWTVHSLDL
LGVALDQGTKDRVVSTLLHFLSPKGGFGGGPANSQIPHLLPTYASVCSLA
IAGNDSSTGGWKDLAAARQSIYEFFMRCKRPDGGFVVCEGGEVDVRGTYC
LLVVATLLDIITPELLHNVDKFVSACQTYEGGFACASFPFPSEPSCRVSM
AEAHGGYTSCSLNSHFLLTSVPLPSFPLSIDANAALRWTVLQQGEPIEGG
GFRGRTNKLVDGCYSWWVGGGAPVAEELVRREKSRKVIPPIFNRVALQEF
TLVAAQQDPGSTGGLRDKPGKRPDQYHTCNNLSGLSIAQHKMSHSPSTVS
SNRLKFDASKGLPAVKPVAPGGGWKNEDERQNARREIWANALGWIEEEGG
EIIVGGKDNRINTTTPVFNILGLRLKPFINYFYCQE
Ligand information
Ligand IDFII
InChIInChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
InChIKeyJAOBYUCYSAOLHS-XGGJEREUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C
CACTVS 3.341CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)C[P](O)(O)=O
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O
FormulaC17 H30 N O5 P
Name[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID;
FPP ANALOG
ChEMBL
DrugBankDB07771
ZINCZINC000002046984
PDB chain8t70 Chain B Residue 605 [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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PDB8t70 Cryptococcus neoformans protein farnesyltransferase in complex with FPTII and TKCMIIM peptide
Resolution1.892 Å
Binding residue
(original residue number in PDB)		R197 Y200 H266 G268 Y269 C272 R317 K320 Y326 W329
Binding residue
(residue number reindexed from 1)		R196 Y199 H254 G256 Y257 C260 R305 K308 Y314 W317
Annotation score2
Enzymatic activity
Enzyme Commision number 2.5.1.58: protein farnesyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004659 prenyltransferase activity
GO:0004660 protein farnesyltransferase activity
GO:0008270 zinc ion binding
GO:0008318 protein prenyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0018343 protein farnesylation
GO:0097354 prenylation
Cellular Component
GO:0005965 protein farnesyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8t70, PDBe:8t70, PDBj:8t70
PDBsum8t70
PubMed
UniProtT2BPA1

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