Structure of PDB 5ygr Chain A Binding Site BS01

Receptor Information
>5ygr Chain A (length=375) Species: 90370 (Salmonella enterica subsp. enterica serovar Typhi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFNTRRKKYGTSLLNGNVGHEVLAFHKKLPNYAVTPLHNLAHLSQRLGLG
SIHIKDESWRFGLNAFKGLGGSYAVGKYLADKLQCDIALNTPEIKEKIKD
CVFVTATDGNHGRGVAWAAEQLGLKAVVYMPLIRAENIRHHGAECTITDL
NYDDAVRLAHRMAQTKGWVLLQDTAWTGYEEIPTWIMQGYMTLAVEAYEQ
LAETNSPLPTHLILQAGVGSFAGSVMGYFVEKMQENIPNIIVVEPHQANC
LYQSAVMDDGQPHCVTIMAGLACGEPNIISWPIIRDNTSCFISADDCLAA
KGMRISAAPRPGTDTPFISGESGAIGVGLLYELMNNMHYQDLANRLQLDA
SAHVLLISTEGDTSPDIYEDIVWNG
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain5ygr Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ygr Comparative structural and enzymatic studies on Salmonella typhimurium diaminopropionate ammonia lyase reveal its unique features
Resolution2.5 Å
Binding residue
(original residue number in PDB)		X78 T124 D125 N127 H128
Binding residue
(residue number reindexed from 1)		X67 T107 D108 N110 H111
Annotation score1
Enzymatic activity
Enzyme Commision number 4.3.1.15: diaminopropionate ammonia-lyase.
Gene Ontology
Molecular Function
GO:0008838 diaminopropionate ammonia-lyase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:5ygr, PDBe:5ygr, PDBj:5ygr
PDBsum5ygr
PubMed29294403
UniProtP40817|DPAL_SALTY Diaminopropionate ammonia-lyase (Gene Name=dpaL)

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