Structure of PDB 1b7y Chain A Binding Site BS01

Receptor Information
>1b7y Chain A (length=265) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNFD
ALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQVR
YMVAHTPPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLKG
AIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAVWWPEGGKWLELGGAGM
VHPKVFQAVDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRYF
FGGRLKFLEQFKGVL
Ligand information
Ligand IDFYA
InChIInChI=1S/C19H25N6O7P/c20-12(6-11-4-2-1-3-5-11)7-30-33(28,29)31-8-13-15(26)16(27)19(32-13)25-10-24-14-17(21)22-9-23-18(14)25/h1-5,9-10,12-13,15-16,19,26-27H,6-8,20H2,(H,28,29)(H2,21,22,23)/t12-,13+,15+,16+,19+/m0/s1
InChIKeyXNEAAYNJQROQFE-BPAMBQHCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@H](CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4ccccc4
ACDLabs 10.04O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(COP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N
CACTVS 3.341N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4
FormulaC19 H25 N6 O7 P
NameADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]
ChEMBL
DrugBank
ZINCZINC000015286878
PDB chain1b7y Chain A Residue 1002 [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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PDB1b7y Crystal structures of phenylalanyl-tRNA synthetase complexed with phenylalanine and a phenylalanyl-adenylate analogue.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R204 E206 E213 F216 Q218 E220 F258 L280 G282 A283 A314 F315 G316 G318 R321
Binding residue
(residue number reindexed from 1)		R119 E121 E128 F131 Q133 E135 F173 L195 G197 A198 A229 F230 G231 G233 R236
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) W149 H178 R204 Q218 V261 A314
Catalytic site (residue number reindexed from 1) W64 H93 R119 Q133 V176 A229
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: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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1b7y, PDBe:1b7y, PDBj:1b7y
PDBsum1b7y
PubMed10092459
UniProtP27001|SYFA_THETH Phenylalanine--tRNA ligase alpha subunit (Gene Name=pheS)

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