Structure of PDB 7rmc Chain W Binding Site BS04

Receptor Information
>7rmc Chain W (length=561) 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
VPLLLLEQKMIDYLHARLKLDEISLTEEEKQRGLELLSKWKATTGNFDES
METVKIALVGKYTNLKDSYLSVIKALEHSSMKCRRKLDIKWVEATDLEPE
AQESNKTKFHEAWNMVSTADGILIPGGFGVRGTEGMVLAARWARENHIPF
LGVCLGLQIATIEFTRSVLGRKDSHSAEFYPDIDEKNHVVVFMMRLGLRP
TFFQNETEWSQIKKLYGDVSEVHERHRHRYEINPKMVDELENNGLIFVGK
DDTGKRCEILELKNHPYYIATQYHPEYTSKVLDPSKPFLGLVAASAGILQ
DVIEGKYDLEA
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain7rmc Chain W Residue 602 [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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PDB7rmc Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G13 G15 K16 G17 N73 Y77 L320 K324
Binding residue
(residue number reindexed from 1)		G13 G15 K16 G17 N73 Y77 L320 K324
Annotation score4
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7rmc, PDBe:7rmc, PDBj:7rmc
PDBsum7rmc
PubMed34734801
UniProtP28274|URA7_YEAST CTP synthase 1 (Gene Name=URA7)

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