Structure of PDB 2zio Chain A Binding Site BS01

Receptor Information
>2zio Chain A (length=255) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALTKSQTDRLEVLLNPKDESGKPFRELESELLSRRKKDLQQIYAEEREN
YLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNLSKQIFRVDKN
FCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGEHLEEFTML
NFCQMGSGCTRENLESIITDFLNHLGIDFKIVGDYGDTLDVMHGDLELSS
AVVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARSGSYYNG
ISTNL
Ligand information
Ligand ID2PN
InChIInChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKeyGNGSOPFGGKKDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)NP(=O)(O)O
FormulaH5 N O6 P2
NameIMIDODIPHOSPHORIC ACID
ChEMBLCHEMBL265450
DrugBank
ZINCZINC000263621374
PDB chain2zio Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zio Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification
Resolution2.06 Å
Binding residue
(original residue number in PDB)		H338 E396 R426
Binding residue
(residue number reindexed from 1)		H143 E197 R227
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.26: pyrrolysine--tRNA(Pyl) ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0043039 tRNA aminoacylation

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Molecular Function
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Biological Process
External links
PDB RCSB:2zio, PDBe:2zio, PDBj:2zio
PDBsum2zio
PubMed19022179
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

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