Structure of PDB 8t70 Chain B Binding Site BS05

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 ID3FX
InChIInChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1
InChIKeyINEWUCPYEUEQTN-SECBINFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1CCC(CC1)NCC(CS(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)CC(O)CNC1CCCCC1
OpenEye OEToolkits 1.7.2C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O
CACTVS 3.370O[C@H](CNC1CCCCC1)C[S](O)(=O)=O
CACTVS 3.370O[CH](CNC1CCCCC1)C[S](O)(=O)=O
FormulaC9 H19 N O4 S
Name(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000002168584
PDB chain8t70 Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		P124 K125 A133 S135 Q136
Binding residue
(residue number reindexed from 1)		P123 K124 A132 S134 Q135
Annotation score1
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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