Structure of PDB 4l78 Chain A Binding Site BS06

Receptor Information
>4l78 Chain A (length=1285) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLVPRGSHMMEILRGSPALSAFRINKLLARFQAANLQVHNIYAEYVHFAD
LNAPLNDSEQAQLTRLLQYGPALSSHTPAGKLLLVTPRPGTISPWSSKAT
DIAHNCGLQQVDRLERGVAYYIEASTLTAEQWRQVAAELHDRMMETVFSS
LTDAEKLFIHHQPAPVSSVDLLGEGRQALIDANLRLGLALAEDEIDYLQE
AFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIK
NTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHILMK
VETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRI
PGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTY
EEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVVGAKLIVLGGP
AMNIGDFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGGLSN
AMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQL
PLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTP
KMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRTV
TGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAA
SARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAVKAV
GEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVED
VRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVRDV
AQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIA
ALGDDHLAALFNEELGGVIQVRAEDRDAVEALLAQYGLADCVHYLGQALA
GDRFVITANDQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAKA
NDTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVNSHVEMAAAF
HRAGFDAIDVHMSDLLGGRIGLGNFHALVACGGFSYGDVLGAGEGWAKSI
LFNHRVRDEFETFFHRPQTLALGVCNGCQMMSNLRELIPGSELWPRFVRN
HSDRFEARFSLVEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDAHLA
ALESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTIMMPH
PEAVFRTVANSWHPENWGEDSPWMRIFRNARKQLG
Ligand information
Ligand IDXE
InChIInChI=1S/Xe
InChIKeyFHNFHKCVQCLJFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Xe]
FormulaXe
NameXENON
ChEMBLCHEMBL1236802
DrugBankDB13453
ZINC
PDB chain4l78 Chain A Residue 1322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l78 Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Resolution2.18 Å
Binding residue
(original residue number in PDB)		K878 A938 V939
Binding residue
(residue number reindexed from 1)		K868 A928 V929
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:4l78, PDBe:4l78, PDBj:4l78
PDBsum4l78
PubMed24223728
UniProtP74881|PUR4_SALTY Phosphoribosylformylglycinamidine synthase (Gene Name=purL)

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