Structure of PDB 7mih Chain C Binding Site BS03

Receptor Information
>7mih Chain C (length=483) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYILVTGGVISGIGKGIIASSIGTILKSCGLRVTAIKIDPYINIDAGTF
SPYEHGEVFVLNDGGEVDLDLGNYERFLDINLYKDNNITTGKIYQHVINK
ERRGDYLGKTVQVVPHITDAVQEWVMNQAKVPVDGNKEEPQICVIELGGT
IGDIEGMPFVEAFRQFQFKAKRENFCNIHVSLVPQLSATGEQKTKPTQNS
VRALRGLGLSPDLIVCRSSTPIEMAVKEKISMFCHVNPEQVICIHDVSST
YRVPVLLEEQSIVKYFKERLHLPILFKWRNMADRYERLQKICSIALVDCY
ASVFKALEHSALAINHKLNLMYIDSIDEAWQKLCKADGILVPGGFLGKLQ
AISWARTKKIPFLGVCLGMQLAVIEFARMRLGIRRTVFKTENSILRKLYG
DVPFIEERHRHRFEVNPNLIKQFLSFVGQDVDGDRMEIIELANHPYFVGV
QFHPEFSSRPMKPSPPYLGLLLAATGNLNAYLQ
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 chain7mih Chain C Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mih Structural basis for isoform-specific inhibition of human CTPS1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G371 G372 F373 C399 R479 H480 R481 F482
Binding residue
(residue number reindexed from 1)		G343 G344 F345 C366 R410 H411 R412 F413
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:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
Biological Process
GO:0006220 pyrimidine nucleotide metabolic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0019637 organophosphate metabolic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0097268 cytoophidium

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mih, PDBe:7mih, PDBj:7mih
PDBsum7mih
PubMed34583994
UniProtQ9NRF8|PYRG2_HUMAN CTP synthase 2 (Gene Name=CTPS2)

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