Structure of PDB 7mgz Chain Q Binding Site BS04

Receptor Information
>7mgz Chain Q (length=542) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYILVTGGVISGIGKGIIASSVGTILKSCGLHVTSIKIDPYINIDAGTF
SPYEHGEVFVLDDGGEVDLDLGNYERFLDIRLTKDNNLTTGKIYQYVINK
ERKGDYLGKTVQVVPHITDAIQEWVMRQALIPVDEDGLEPQVCVIELGGT
VGDIESMPFIEAFRQFQFKVKRENFCNIHVSLVPQPSSTGEQKTKPTQNS
VRELRGLGLSPDLVVCRCSNPLDTSVKEKISMFCHVEPEQVICVHDVSSI
YRVPLLLEEQGVVDYFLRRLDLPKMLMKWKEMADRYDRLLETCSIALVGK
YTKFSDSYASVIKALEHSALAINHKLEIKYIDSADLEPITSQEEPVRYHE
AWQKLCSAHGVLVPGGFGVRGTEGKIQAIAWARNQKKPFLGVCLGMQLAV
VEFSRNVLGWQDANSTEFDPTTSHPVVVDMPEHNMRLGKRRTLFQTKNSV
MRKLYGDADYLEERHRHRFEVNPVWKKCLEEQGLKFVGQDVEGERMEIVE
LEDHPFFVGVQYHPEFLSRPIKPSPPYFGLLLASVGRLSHYL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7mgz Chain Q Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mgz Structural basis for isoform-specific inhibition of human CTPS1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D70 E146
Binding residue
(residue number reindexed from 1)		D70 E146
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.2: CTP synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0003883 CTP synthase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
Biological Process
GO:0002376 immune system process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0009410 response to xenobiotic stimulus
GO:0019637 organophosphate metabolic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0042098 T cell proliferation
GO:0042100 B cell proliferation
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0097268 cytoophidium

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mgz, PDBe:7mgz, PDBj:7mgz
PDBsum7mgz
PubMed34583994
UniProtP17812|PYRG1_HUMAN CTP synthase 1 (Gene Name=CTPS1)

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