Structure of PDB 1vcn Chain A Binding Site BS01

Receptor Information
>1vcn Chain A (length=506) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRKYVFITGGVVSSLGKGILTSSLGALLRARGYRVTAIKIDPYVNVDAGT
MGEVFVTADGAETDLDIGHYERFLDMDLSRGNNLTTGQVYLSVIQKERRG
EYLSQTVQVIPHITDEIKERIRKVAEEQKAEIVVVEVGGTVGDIESLPFL
EAIRQFRFDEGEGNTLYLHLTLVPYLETSEEFKTKPTQHSVATLRGVGIQ
PDILVLRSARPVPEEVRRKVALFTNVRPGHVFSSPTVHLYEVPLLLEEQG
LGRAVERALGLEAVIPNLSFWQEAVRVLHPERTVKIAIAGKPDAYLSLLE
ALRHAGIKNRARVEVKWVDAAADLDEAFRDVSGILVPGGVRGIEGKVRAA
QYARERKIPYLGICLGLQIAVIEFARNVAGLKGANSTEFDPHTPHPVIDL
MTMRLGDWPMRIKPGTLLHRLYGKEEVLERHRHRYEVNPLYVDGLERAGL
VVSATTPGMGAGLVEAIELKDHPFFLGLQSHPEFKSRPMRPSPPFVGFVE
AALAYQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1vcn Chain A Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vcn Crystal Structures of CTP Synthetase Reveal ATP, UTP, and Glutamine Binding Sites
Resolution2.25 Å
Binding residue
(original residue number in PDB)		K49 G153 G154
Binding residue
(residue number reindexed from 1)		K39 G138 G139
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:0004359 glutaminase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vcn, PDBe:1vcn, PDBj:1vcn
PDBsum1vcn
PubMed15296735
UniProtQ5SIA8|PYRG_THET8 CTP synthase (Gene Name=pyrG)

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