Structure of PDB 6jt9 Chain A Binding Site BS01

Receptor Information
>6jt9 Chain A (length=1286) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSGLVPRGSHMMEILRGSPALSAFRINKLLARFQAANLQVHNIYAEYVHF
ADLNAPLNDSEQAQLTRLLQYGPALSSHTPAGKLLLVTPRPGTISPWSSK
ATDIAHNCGLQQVDRLERGVAYYIEASTLTAEQWRQVAAELHDRMMETVF
SSLTDAEKLFIHHQPAPVSSVDLLGEGRQALIDANLRLGLALAEDEIDYL
QEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKM
IKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHIL
MKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNL
RIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFR
TYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVVGAKLIVLG
GPAMNIGFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGGLS
NAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQ
LPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKT
PKMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRT
VTGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFA
ASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAVKA
VGEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVE
DVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVRD
VAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDI
AALGDDHLAALFNEELGGVIQVRAEDRDAVEALLAQYGLADCVHYLGQAL
AGDRFVITANDQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAK
ANDTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVNSHVEMAAA
FHRAGFDAIDVHMSDLLGGRIGLGNFHALVACGGFSYGDVLGAGEGWAKS
ILFNHRVRDEFETFFHRPQTLALGVCNGCQMMSNLRELIPGSELWPRFVR
NHSDRFEARFSLVEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDAHL
AALESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTIMMP
HPERVFRTVANSWHPENWGEDSPWMRIFRNARKQLG
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 chain6jt9 Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jt9 Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D679 N722 D884
Binding residue
(residue number reindexed from 1)		D670 N713 D875
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.5.3: phosphoribosylformylglycinamidine synthase.
Gene Ontology
Molecular Function
GO:0004642 phosphoribosylformylglycinamidine synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0006541 glutamine metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jt9, PDBe:6jt9, PDBj:6jt9
PDBsum6jt9
PubMed32284973
UniProtP74881|PUR4_SALTY Phosphoribosylformylglycinamidine synthase (Gene Name=purL)

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