Structure of PDB 7rmv Chain E Binding Site BS02

Receptor Information
>7rmv Chain E (length=553) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYVVVSGGVISGIGKGVLASSTGMLMKTLGLKVTSIKIDPYMNIDAGTM
SPLEHGECFVLDDGGETDLDLGNYERYLGVTLTKDHNITTGKIYSHVIAK
ERKGDYLGKTVQIVPHLTNAIQDWIERVAKIPVDDTGMEPDVCIIELGGT
VGDIESAPFVEALRQFQFKVGKENFALIHVSLVPVIHGEQKTKPTQAAIK
GLRSLGLVPDMIACRCSETLDKPTIDKIAMFCHVGPEQVVNVHDVNSTYH
VPLLLLEQKMIDYLHARLKLDEISLTEEEELLSKWKATTGNFDETVKIAL
VGKYTNLKDSYLSVIKALEHSSMKCRRKLDIKWVEATDLEPEAQESNKTK
FREAWNMVSTADGILIPGGFGVRGTEGMVLAARWARENHIPFLGVCLGLQ
IATIEFTRSVLGRKDSHSAEFYPDIDEKNHVVVFMMRLGLRPTFFQNETE
WSQIKKLYGDVSEVHERHRHRYEINPKMVDELENNGLIFVGKDDTGKRCE
ILELKNHPYYIATQYHPEYTSKVLDPSKPFLGLVAASAGILQDVIEGKYD
LEA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7rmv Chain F Residue 601 [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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PDB7rmv Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Resolution6.7 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 G17 V18 R215 V242
Binding residue
(residue number reindexed from 1)		G13 G15 K16 G17 V18 R215 V242
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.4.2: CTP synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0003883 CTP synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0008654 phospholipid biosynthetic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0000324 fungal-type vacuole
GO:0005737 cytoplasm
GO:0097268 cytoophidium

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7rmv, PDBe:7rmv, PDBj:7rmv
PDBsum7rmv
PubMed34734801
UniProtP28274|URA7_YEAST CTP synthase 1 (Gene Name=URA7)

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