Structure of PDB 7t0e Chain B Binding Site BS04

Receptor Information
>7t0e Chain B (length=485) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATEFTPSVYSLVSKPLPSNSRPSATLDEQAETEDLISQLFDLTADPNALV
SEHGKRYSGLRKQEHTQFLASSFFQLPGKFVSLDASRPWLVFWTVHSLDL
LGVALDQGTKDRVVSTLLHFLSPKGGFGGGPANSQIPHLLPTYASVCSLA
IAGNDSSTGGWKDLAAARQSIYEFFMRCKRPDGGFVVCEGGEVDVRGTYC
LLVVATLLDIITPELLHNVDKFVSACQTYEGGFACASFPFPEPSCRVSMA
EAHGGYTSCSLNSHFLLTSVPLPSFPLSIDANAALRWTVLQQGEPIEGGG
FRGRTNKLVDGCYSWWVGGGAPVAEELVRREKSRKVIPPIFNRVALQEFT
LVAAQQDPGSTGGLRDKPGKRPDQYHTCNNLSGLSIAQHKMSHSPSTVSS
NRLKFDASKGLPAVKPVAPGGGWKNEDERQNARREIWANALGWIEEEGGE
IIVGGKDNRINTTTPVFNILGLRLKPFINYFYCQE
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 chain7t0e 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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PDB7t0e Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
Resolution2.223 Å
Binding residue
(original residue number in PDB)		S123 P124 K125 A133 N134 S135
Binding residue
(residue number reindexed from 1)		S122 P123 K124 A132 N133 S134
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:7t0e, PDBe:7t0e, PDBj:7t0e
PDBsum7t0e
PubMed36218371
UniProtT2BPA1

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