Structure of PDB 7rni Chain A Binding Site BS01

Receptor Information
>7rni Chain A (length=315) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYF
RAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMN
YITAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAW
QHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDR
AVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQ
PSHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRK
EYWRYIGRSLQSKHS
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain7rni Chain B Residue 505 [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]
PDB7rni Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
Resolution1.978 Å
Binding residue
(original residue number in PDB)		K164 Y200 H201
Binding residue
(residue number reindexed from 1)		K111 Y147 H148
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.58: protein farnesyltransferase.
2.5.1.59: protein geranylgeranyltransferase type I.
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
GO:0004660 protein farnesyltransferase activity
GO:0004661 protein geranylgeranyltransferase activity
GO:0004662 CAAX-protein geranylgeranyltransferase activity
GO:0004663 Rab geranylgeranyltransferase activity
GO:0005515 protein binding
GO:0008017 microtubule binding
GO:0008270 zinc ion binding
GO:0008318 protein prenyltransferase activity
GO:0030971 receptor tyrosine kinase binding
GO:0036094 small molecule binding
GO:0042277 peptide binding
GO:0043014 alpha-tubulin binding
GO:0060090 molecular adaptor activity
GO:1901363 heterocyclic compound binding
Biological Process
GO:0007167 enzyme-linked receptor protein signaling pathway
GO:0008284 positive regulation of cell population proliferation
GO:0014070 response to organic cyclic compound
GO:0018342 protein prenylation
GO:0018343 protein farnesylation
GO:0018344 protein geranylgeranylation
GO:0034097 response to cytokine
GO:0035022 positive regulation of Rac protein signal transduction
GO:0043066 negative regulation of apoptotic process
GO:0045787 positive regulation of cell cycle
GO:0051770 positive regulation of nitric-oxide synthase biosynthetic process
GO:0051771 negative regulation of nitric-oxide synthase biosynthetic process
GO:0090044 positive regulation of tubulin deacetylation
GO:1904395 positive regulation of skeletal muscle acetylcholine-gated channel clustering
Cellular Component
GO:0005737 cytoplasm
GO:0005875 microtubule associated complex
GO:0005953 CAAX-protein geranylgeranyltransferase complex
GO:0005965 protein farnesyltransferase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7rni, PDBe:7rni, PDBj:7rni
PDBsum7rni
PubMed33488970
UniProtQ04631|FNTA_RAT Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Gene Name=Fnta)

[Back to BioLiP]