Structure of PDB 2bte Chain A Binding Site BS05

Receptor Information
>2bte Chain A (length=876) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKYNPHAIEAKWQRFWEEKGFMKAKDLPGGRGKQYVLVMFPYPSGDLHM
GHLKNYTMGDVLARFRRMQGYEVLHPMGWDAFGLPAENAALKFGVHPKDW
TYANIRQAKESLRLMGILYDWDREVTTCEPEYYRWNQWIFLKMWEKGLAY
RAKGLVNWCPKCQTVLANEQVVEGRCWRHEDTPVEKRELEQWYLRITAYA
ERLLKDLEGLNWPEKVKAMQRAWIGRSEGAEILFPVEGKEVRIPVFTTRP
DTLFGATFLVLAPEHPLTLELAAPEKREEVLAYVEAAKRKTEIERQAEGR
EKTGVFLGAYALNPATGERIPIWTADYVLFGYGTGAIMAVPAHDQRDYEF
ARKFGLPIKKVIERPGEPLPEPLERAYEEPGIMVNSGPFDGTESEEGKRK
VIAWLEEKGLGKGRVTYRLRDWLISRQRYWGTPIPMVHCEACGVVPVPEE
ELPVLLPDLKDVEDIRPKGKSPLEAHPEFYETTCPKCGGPAKRDTDTMDT
FFDSSWYYLRYTDPHNDRLPFDPEKANAWMPVDQYIGGVEHAVLHLLYSR
FFTKFLHDLGMVKVEEPFQGLFTQGMVLAWTDFGPVEVEGSVVRLPEPTR
IRLEIPESALSLEDVRKMGAELRPHEDGTLHLWKPAVMSKSKGNGVMVGP
FVKEQGADIARITILFAAPPENEMVWTEEGVQGAWRFLNRIYRRVAEDRE
ALLETSGVFQAEALEGKDRELYGKLHETLKKVTEDLEALRFNTAIAALME
FLNALYEYRKDRPVTPVYRTAIRYYLQMLFPFAPHLAEELWHWFWPDSLF
EAGWPELDEKALEKDVVEVAVQVNGRVRGTIHIPKDAPLEVARAEALKVR
NVRAHLEGKEVVKEIYVPGKILNLVV
Ligand information
Ligand ID2AD
InChIInChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKeyCQKMBZHLOYVGHW-QYYRPYCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)N)N
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N
CACTVS 3.341N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
CACTVS 3.341N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
FormulaC10 H14 N6 O3
Name2'-AMINO-2'-DEOXYADENOSINE
ChEMBLCHEMBL133809
DrugBankDB04102
ZINCZINC000053204366
PDB chain2bte Chain A Residue 1893 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bte The Crystal Structure of Leucyl-tRNA Synthetase Complexed with tRNA(Leu) in the Post-Transfer- Editing Conformation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F246 T247 T248 V328 L329 Y332 I337
Binding residue
(residue number reindexed from 1)		F246 T247 T248 V328 L329 Y332 I337
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F41 H49 H52 D80 C159 C162 F501 H541 F551 V637 K640
Catalytic site (residue number reindexed from 1) F41 H49 H52 D80 C159 C162 F501 H541 F551 V637 K640
Enzyme Commision number 6.1.1.4: leucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0002161 aminoacyl-tRNA editing activity
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004823 leucine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006429 leucyl-tRNA aminoacylation
GO:0106074 aminoacyl-tRNA metabolism involved in translational fidelity
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2bte, PDBe:2bte, PDBj:2bte
PDBsum2bte
PubMed16155583
UniProtQ7SIE4

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