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Structure of PDB 1asz Chain B Binding Site BS02

Receptor Information

>1asz Chain B (length=490) Species: 559292 (Saccharomyces cerevisiae S288C)

EDTAKDNYGKLPLIQSRDSDRTGQKRVKFVDLDEAKDSDKEVLFRARVHN
TRQQGATLAFLTLRQQASLIQGLVKANKEGTISKNMVKWAGSLNLESIVL
VRGIVKKVDEPIKSATVQNLEIHITKIYTISETPEALPILLEDASRSEAE
AEAAGLPVVNLDTRLDYRVIDLRTVTNQAIFRIQAGVCELFREYLATKKF
TEVHTPKLLGAPSEGGSSVFEVTYFKGKAYLAQSPQFNKQQLIVADFERV
YEIGPVFRAENSNTHRHMTEFTGLDMEMAFEEHYHEVLDTLSELFVFIFS
ELPKRFAHEIELVRKQYPVEEFKLPKDGKMVRLTYKEGIEMLRAAGKEIG
DFEDLSTENEKFLGKLVRDKYDTDFYILDKFPLEIRPFYTMPDPANPKYS
NSYDFFMRGEEILSGAQRIHDHALLQERMKAHGLSPEDPGLKDYCDGFSY
GCPPHAGGGIGLERVVMFYLDLKNIRRASLFPRDPKRLRP

Ligand information

• Ligand ID: ATP
• InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
• Formula: C10 H16 N5 O13 P3
• Name: ADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL14249
• DrugBank: DB00171
• ZINC: ZINC000004261765
• PDB chain: 1asz Chain B Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1asz The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): R325 M335 F338 E478 I479 L480 S481 G526 I527 R531
• Binding residue (residue number reindexed from 1): R258 M268 F271 E411 I412 L413 S414 G459 I460 R464
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): R325 E327 R333 H334 E478 S481 R531
• Catalytic site (residue number reindexed from 1): R258 E260 R266 H267 E411 S414 R464
• Enzyme Commision number: 6.1.1.12: aspartate--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003676 nucleic acid binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004815 aspartate-tRNA ligase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006422 aspartyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1asz, PDBe:1asz, PDBj:1asz
• PDBsum: 1asz
• PubMed: 8313877
• UniProt: P04802|SYDC_YEAST Aspartate--tRNA ligase, cytoplasmic (Gene Name=DPS1)

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