Structure of PDB 1wnz Chain A Binding Site BS01

Receptor Information

>1wnz Chain A (length=180) Species: 274 (Thermus thermophilus)

DPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAAF
QVGDEALILEEGLGRKLLGEGTPVLKTFPGKALEGLPYTPPYPQALEKGY
FVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLLV
EPFKGLYFREANRAILRDLRGRGLLFKEES

Ligand information

• Ligand ID: 2VA
• InChI: InChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-11(24)7(3-23)26-15(9)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,9-,11-,15-/m1/s1
• InChIKey: UPIKYXOKKJTWAH-QNNFVPKKSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N
  CACTVS 3.341: CC(C)[C@H](N)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
  OpenEye OEToolkits 1.5.0: CC(C)C(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N
  CACTVS 3.341: CC(C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
  ACDLabs 10.04: O=C(NC3C(O)C(OC3n2cnc1c(ncnc12)N)CO)C(N)C(C)C
• Formula: C15 H23 N7 O4
• Name: 2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE
• ZINC: ZINC000016051624
• PDB chain: 1wnz Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wnz Structural basis for substrate recognition by the editing domain of isoleucyl-tRNA synthetase
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): W227 T228 T229 S310 V318 H319 D328
• Binding residue (residue number reindexed from 1): W26 T27 T28 S109 V117 H118 D127
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 6.1.1.5: isoleucine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0002161 aminoacyl-tRNA editing activity

Biological Process

• GO:0006418 tRNA aminoacylation for protein translation

External links

• PDB: RCSB:1wnz, PDBe:1wnz, PDBj:1wnz
• PDBsum: 1wnz
• PubMed: 16697013
• UniProt: P56690|SYI_THET8 Isoleucine--tRNA ligase (Gene Name=ileS)