Structure of PDB 4mgh Chain A Binding Site BS02

Receptor Information
>4mgh Chain A (length=1284) 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
AMNIGFASVQRDNPEMERRCQEVIDRCWQLGDANPILFIHDVGAGGLSNA
MPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLP
LFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPK
MTRDVQTLKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRTVT
GMVARDQMVGPWQVPVADCAVTTASLDSYYGEAMSIGERAPVALLDFAAS
ARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDAVKAVG
EELCPQLGLTIPVGKDSMSMKTRWQEGNEQREMTSPLSLVISAFARVEDV
RHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVRDVA
QLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIAA
LGDDHLAALFNEELGGVIQVRAEDRDAVEALLAQYGLADCVHYLGQALAG
DRFVITANDQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAKAN
DTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVNSHVEMAAAFH
RAGFDAIDVHMSDLLGGRIGLGNFHALVACGGFSYGDVLGAGEGWAKSIL
FNHRVRDEFETFFHRPQTLALGVCNGCQMMSNLRELIPGSELWPRFVRNH
SDRFEARFSLVEVTQSPSLLLQGMVGSQMPIAVSHGEGRVEVRDDAHLAA
LESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTIMMPHP
ERVFRTVANSWHPENWGEDSPWMRIFRNARKQLG
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 chain4mgh Chain A Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4mgh Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D679 N722 D884
Binding residue
(residue number reindexed from 1)		D668 N711 D873
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4mgh, PDBe:4mgh, PDBj:4mgh
PDBsum4mgh
PubMed24223728
UniProtP74881|PUR4_SALTY Phosphoribosylformylglycinamidine synthase (Gene Name=purL)

[Back to BioLiP]