Structure of PDB 7miu Chain H Binding Site BS01

Receptor Information
>7miu Chain H (length=542) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYILVTGGVISGIGKGIIASSIGTILKSCGLRVTAIKIDPYINIDAGTF
SPYEHGEVFVLNDGGEVDLDLGNYERFLDINLYKDNNITTGKIYQHVINK
ERRGDYLGKTVQVVPHITDAIQEWVMNQAKVSVDGNKEDPQICVIELGGT
IGDIEGMAFVEAFRQFQFKAKKENFYNIHVSLVPQPSATGEQKTKPTQNS
VRALRGLGLSPDLIVCRSSTPIEMAVKEKISMFCHVNPEQVICIHDVSSI
YRVPLLLEEQGVVKYFQERLGLPLLFKWKAMADRYERLQKICSIALVGKY
TKLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEPVTKAEDPVKFHEA
WQKLCLADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGICLGMQLAVI
EFARNCLNLKDANSTEFEPNTPVPLVIDMPETMRLGLRRTVFTTENSILK
KLYGDVPYIEERHRHRYEVNPNLINQFENKDLCFVGEDVDGKRMEIVELT
SHPYFIGVQFHPEFSSRPMKPSPPYLGLLLAATGNLNAHLQQ
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain7miu Chain H Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7miu Structural basis for isoform-specific inhibition of human CTPS1.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G371 G372 F373 C399 L400 Q403 E423 H480 R481 Y482 H526
Binding residue
(residue number reindexed from 1)		G364 G365 F366 C392 L393 Q396 E416 H465 R466 Y467 H511
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:0016879 ligase activity, forming carbon-nitrogen bonds
GO:0042802 identical protein binding
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7miu, PDBe:7miu, PDBj:7miu
PDBsum7miu
PubMed34583994
UniProtP70303|PYRG2_MOUSE CTP synthase 2 (Gene Name=Ctps2)

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