Structure of PDB 2zin Chain A Binding Site BS03

Receptor Information
>2zin Chain A (length=258) Species: 2209 (Methanosarcina mazei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALTKSQTDRLEVLLNPKDESGKPFRELESELLSRRKKDLQQIYAEEREN
YLGKLEREITRFFVDRGFLEIKSPILIPLEYIERMGIDNDTELSKQIFRV
DKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKEHLEE
FTMLNFCQMGSGCTRENLESIITDFLNHLGIDFKIVGDGDTLDVMHGDLE
LSSAVVGPIPLDREWGIDKPWIGAGFGLERLLKVKHDFKNIKRAARSGSY
YNGISTNL
Ligand information
Ligand IDLBY
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyVVQIIIAZJXTLRE-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)(C)OC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370CC(C)(C)OC(=O)NCCCC[CH](N)C(O)=O
ACDLabs 12.01O=C(OC(C)(C)C)NCCCCC(C(=O)O)N
CACTVS 3.370CC(C)(C)OC(=O)NCCCC[C@H](N)C(O)=O
FormulaC11 H22 N2 O4
NameN~6~-(tert-butoxycarbonyl)-L-lysine
ChEMBL
DrugBank
ZINCZINC000002384792
PDB chain2zin Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2zin Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification
Resolution1.79 Å
Binding residue
(original residue number in PDB)		M300 A302 Y306 N346 W417 G419
Binding residue
(residue number reindexed from 1)		M109 A111 Y115 N155 W221 G223
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zin, PDBe:2zin, PDBj:2zin
PDBsum2zin
PubMed19022179
UniProtQ8PWY1|PYLS_METMA Pyrrolysine--tRNA ligase (Gene Name=pylS)

[Back to BioLiP]