Structure of PDB 4pga Chain A Binding Site BS01

Receptor Information
>4pga Chain A (length=330) Species: 65406 (Pseudomonas sp. 7A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLANVVILATGGTIAGAGASAANSATYQAAKVGVDKLIAGVPELADLANV
RGEQVMQIASESITNDDLLKLGKRVAELADSNDVDGIVITHGTDTLEETA
YFLNLVQKTDKPIVVVGSMRPGTAMSADGMLNLYNAVAVASNKDSRGKGV
LVTMNDEIQSGRDVSKSINIKTEAFKSAWGPLGMVVEGKSYWFRLPAKRH
TVNSEFDIKQISSLPQVDIAYSYGNVTDTAYKALAQNGAKALIHAGTGNG
SVSSRVVPALQQLRKNGTQIIRSSHVNQGGFVLRNAEQPDDKNDWVVAHD
LNPEKARILAMVAMTKTQDSKELQRIFWEY
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4pga Chain A Residue 338 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pga Ion binding induces closed conformation in Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA-SO4(2-)-NH4+ complex at 1.7 A resolution.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G19 T20 S67 G99 T100 D101
Binding residue
(residue number reindexed from 1)		G12 T13 S60 G92 T93 D94
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T20 Y34 T100 D101 K173 E294
Catalytic site (residue number reindexed from 1) T13 Y27 T93 D94 K166 E287
Enzyme Commision number 3.5.1.38: glutamin-(asparagin-)ase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0004359 glutaminase activity
GO:0016787 hydrolase activity
GO:0050417 glutamin-(asparagin-)ase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006528 asparagine metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pga, PDBe:4pga, PDBj:4pga
PDBsum4pga
PubMed9020792
UniProtP10182|ASPQ_PSES7 Glutaminase-asparaginase (Gene Name=ansB)

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