Structure of PDB 4wj4 Chain A Binding Site BS02

Receptor Information
>4wj4 Chain A (length=585) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRSHYCGQLNESLDGQEVTLCGWVHRRRDHGGVIFLDVRDREGLAQVVFD
PDRAETFAKADRVRSEFVVKITGKVRLRPEGARNPNMASGSIEVLGYELE
VLNQAETPPFPLDEYSDVGEETRLRYRFIDLRRPEMAAKLKLRARITSSI
RRYLDDNGFLDVETPILGRPTPEGARDYLVPSRTYPGHFFALPQSPQLFK
QLLMVAGFDRYYQIAKCFRDEDLRADRQPEFTQIDIETSFLDESDIIGIT
EKMVRQLFKEVLDVEFDEFPHMPFEEAMRRYGSDKPDLRIPLELVDVADQ
LKEVEFKVFSGPANDPKGRVAALRVPGAASMPRSQIDDYTKFVGIYGAKG
LAYIKVNERAKGVEGLQSPIVKFIPEANLNVILDRVGAVDGDIVFFGADK
AKIVCDALGALRIKVGHDLKLLTREWAPMWVVDFPMFEENDDGSLSALHH
PFTSPKCTPAELEANPGAALSRAYDMVLNGTELGGGSIRIHDKSMQQAVF
RVLGIDEAEQEEKFGFLLDALKYGAPPHGGLAFGLDRLVMLMTGASSIRE
VIAFPKTQSAGDVMTQAPGSVDGKALRELHIRLRE
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4wj4 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wj4 Structure of the Pseudomonas aeruginosa transamidosome reveals unique aspects of bacterial tRNA-dependent asparagine biosynthesis
Resolution3.294 Å
Binding residue
(original residue number in PDB)		S196 Q198 H451 R490 L532
Binding residue
(residue number reindexed from 1)		S195 Q197 H450 R489 L531
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R220 E222 R228 Q229 E483 G486 R538
Catalytic site (residue number reindexed from 1) R219 E221 R227 Q228 E482 G485 R537
Enzyme Commision number 6.1.1.23: aspartate--tRNA(Asn) ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004815 aspartate-tRNA ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0050560 aspartate-tRNA(Asn) ligase activity
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006422 aspartyl-tRNA aminoacylation
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:4wj4, PDBe:4wj4, PDBj:4wj4
PDBsum4wj4
PubMed25548166
UniProtQ51422|SYDND_PSEAE Aspartate--tRNA(Asp/Asn) ligase (Gene Name=aspS)

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