Structure of PDB 1tnu Chain K Binding Site BS01

Receptor Information

>1tnu Chain K (length=314) Species: 10116 (Rattus norvegicus)

FLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFR
AVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNY
IIAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQ
HRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRA
VLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQP
SHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRKE
YWRYIGRSLQSKHS

Ligand information

• Ligand ID: MGM
• InChI: InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
• InChIKey: OEMBPHBKZPOPBN-NWLVNBMCSA-N
• SMILES:
  CACTVS 3.341: CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C)/CC\C=C(/C)CCC=C(C)C
  OpenEye OEToolkits 1.5.0: CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C
  OpenEye OEToolkits 1.5.0: CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C
  CACTVS 3.341: CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
  ACDLabs 10.04: O=P(OP(=O)(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O)(O)O
• Formula: C19 H37 N O7 P2
• Name: 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
  3-AZAGERANYLGERANYL DIPHOSPHATE
• ChEMBL: CHEMBL71360
• DrugBank: DB08180
• PDB chain: 1tnu Chain L Residue 379

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tnu Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): K164 Y200
• Binding residue (residue number reindexed from 1): K110 Y146
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): K164
• Catalytic site (residue number reindexed from 1): K110
• 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

External links

• PDB: RCSB:1tnu, PDBe:1tnu, PDBj:1tnu
• PDBsum: 1tnu
• PubMed: 15451670
• UniProt: Q04631|FNTA_RAT Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Gene Name=Fnta)