Structure of PDB 4lgy Chain A Binding Site BS04

Receptor Information
>4lgy Chain A (length=1288) 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]
GDGLVPRGSHMMEILRGSPALSAFRINKLLARFQAANLQVHNIYAEYVHF
ADLNAPLNDSEQAQLTRLLQYGPALSSHTPAGKLLLVTPRPGTISPWSSK
ATDIAHNCGLQQVDRLERGVAYYIEASTLTAEQWRQVAAELHDRMMETVF
SSLTDAEKLFIHHQPAPVSSVDLLGEGRQALIDANLRLGLALAEDEIDYL
QEAFTKLGRNPNDIELYMWAQANSEHCRHKIFNADWIIDGKPQPKSLFKM
IKNTFETTPDYVLSAYKDNAAVMEGSAVGRYFADHNTGRYDFHQEPAHIL
MKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNL
RIPGFEQPWEEDFGKPERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFR
TYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVVGAKLIVLG
GPAMNIGLDFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGG
LSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAA
DQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLG
KTPKMTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGD
RTVTGMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLD
FAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAV
KAVGEELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFAR
VEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADV
RDVAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQV
DIAALGDDHLAALFNEELGGVIQVRAEDRDAVEALLAQYGLADCVHYLGQ
ALAGDRFVITANDQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHE
AKANDTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVNSHVEMA
AAFHRAGFDAIDVHMSDLLGGRIGLGNFHALVACGGFSYGDVLGAGEGWA
KSILFNHRVRDEFETFFHRPQTLALGVCNGCQMMSNLRELIPGSELWPRF
VRNHSDRFEARFSLVEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDA
HLAALESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTIM
MPHPERVFRTVANSWHPENWGEDSPWMRIFRNARKQLG
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 chain4lgy Chain A Residue 1339 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lgy Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Resolution1.48 Å
Binding residue
(original residue number in PDB)		F1112 N1113
Binding residue
(residue number reindexed from 1)		F1105 N1106
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:4lgy, PDBe:4lgy, PDBj:4lgy
PDBsum4lgy
PubMed24223728
UniProtP74881|PUR4_SALTY Phosphoribosylformylglycinamidine synthase (Gene Name=purL)

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