Structure of PDB 3pco Chain C Binding Site BS01

Receptor Information
>3pco Chain C (length=323) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELVASAKAAISQASDVAALDNVRVEYLGKKGHLTLQMTTLRELPPEERP
AAGAVINEAKEQVQQALNARKAELESAALNARLAAETIDVSLPGRRIENG
GLHPVTRTIDRIESFFGELGFTVATGPEIEDDYHNFDALNIPGHHPARAD
HDTFWFDTTRLLRTQTSGVQIRTMKAQQPPIRIIAPGRVYRNDYDQTHTP
MFHQMEGLIVDTNISFTNLKGTLHDFLRNFFEEDLQIRFRPSYFPFTEPS
AEVDVMGKNGKWLEVLGCGMVHPNVLRNVGIDPEVYSGFAFGMGMERLTM
LRYGVTDLRSFFENDLRFLKQFK
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain3pco Chain C Residue 990 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pco Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		Q169 F248 F250 G271 C272 A294 F295 G296
Binding residue
(residue number reindexed from 1)		Q165 F244 F246 G267 C268 A290 F291 G292
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H155 Q169 R195 Q208 T251 A294
Catalytic site (residue number reindexed from 1) H151 Q165 R191 Q204 T247 A290
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004826 phenylalanine-tRNA ligase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006432 phenylalanyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009328 phenylalanine-tRNA ligase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pco, PDBe:3pco, PDBj:3pco
PDBsum3pco
PubMed21082706
UniProtP08312|SYFA_ECOLI Phenylalanine--tRNA ligase alpha subunit (Gene Name=pheS)

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