Structure of PDB 2aly Chain B Binding Site BS01

Receptor Information
>2aly Chain B (length=785) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVPFSWLKAYVPELESPEVLEERLAGLGFETDRIERVFPIPRGVVFARV
LEAHPIPGTRLKRLVLDAGRTVEVVSGAENARKGIGVALALPGTELPGLG
QKVGERVIQGVRSFGMALSPRELGVGEYGGGLLEFPEDALPPGTPLSEAW
PEEVVLDLEVTPNRPDALGLLGLARDLHALGYALVEPEAALKAEALPLPF
ALKVEDPEGAPHFTLGYAFGLRVAPSPLWMQRALFAAGMRPINNVVDVTN
YVMLERAQPMHAFDLRFVGEGIAVRRAREGERLKTLDGVERTLHPEDLVI
AGWRGEESFPLGLAGVMGGAESEVREDTEAIALEVACFDPVSIRKTARRH
GLRTEASHRFERGVDPLGQVPAQRRALSLLQALAGARVAEALLEAGSPKP
PEAIPFRPEYANRLLGTSYPEAEQIAILKRLGCRVEGEGPTYRVTPPSHR
LDLRLEEDLVEEVARIQGYETIPLALPAFFPAPDNRGVEAPYRKEQRLRE
VLSGLGFQEVYTYSFMDPEDARRFRLDPPRLLLLNPLAPEKAALRTHLFP
GLVRVLKENLDLDRPERALLFEVGRVFREREETHLAGLLFGEGVGLPWAK
ERLSGYFLLKGYLEALFARLGLAFRVEAQAFPFLHPGVSGRVLVEGEEVG
FLGALHPEIAQELELPPVHLFELRLPLPDKPLAFQDPSRHPAAFRDLAVV
VPAPTPYGEVEALVREAAGPYLESLALFDLYQGPPLPEGHKSLAFHLRFR
HPKRTLRDEEVEEAVSRVAEALRARGFGLRGLDTP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2aly Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aly Structural Basis for Discrimination of L-Phenylalanine from L-Tyrosine by Phenylalanyl-tRNA Synthetase
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D452 E461
Binding residue
(residue number reindexed from 1)		D452 E461
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000287 magnesium ion binding
GO:0003723 RNA 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
Cellular Component
GO:0005737 cytoplasm
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:2aly, PDBe:2aly, PDBj:2aly
PDBsum2aly
PubMed16338408
UniProtQ5SGX1|SYFB_THET8 Phenylalanine--tRNA ligase beta subunit (Gene Name=pheT)

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