Structure of PDB 5k62 Chain A Binding Site BS02

Receptor Information

>5k62 Chain A (length=430) Species: 889517 (Saccharomyces cerevisiae CEN.PK113-7D)

TKLLVSLKVLVIQLNPQIGQVDQTIKRTWSILDKVTKSATYVKPDIILFP
EFALTGYSFHARKDILPYVTKKDEGPSFELAKSISEKFQCYTIIGYPEED
DEQKLYNSALVVNPQGGQIFNYRKTFLYDTEMNWDCEENPEGFQTFPMDF
SKCAKLSNEDSYNRDVTLKASIGISMDLSPYKFMAPFNHFEFSSFCVDNN
VELILCPMAWLNSTSITDKQTLHNNSLLEAAKNKIAFALKEQGLPLAGSQ
GIYQLKIGDSQRTPRVPSDDSTSEYKDMDEPDMSNVNYWILRFFPFLYFK
LRINWFKNSSLIESILGKTRMPLDHEYYKGKHDLLDSEEVIKDTVLEKTF
LGTSLGQPWKFQGKNAILVLANRCGTEDGTTIFAGSSGIYKFNGKKSSLD
SLNESVELLGNLGKGLEGAILREVQFEVFR

Ligand information

• Ligand ID: VAL
• InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
• InChIKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)C(C)C
  OpenEye OEToolkits 1.5.0: CC(C)C(C(=O)O)N
  OpenEye OEToolkits 1.5.0: CC(C)[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)[C@H](N)C(O)=O
  CACTVS 3.341: CC(C)[CH](N)C(O)=O
• Formula: C5 H11 N O2
• Name: VALINE
• ChEMBL: CHEMBL43068
• DrugBank: DB00161
• ZINC: ZINC000000895099
• PDB chain: 5k62 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5k62 Structural basis for dual specificity of yeast N-terminal amidase in the N-end rule pathway.
• Resolution: 1.899 Å
• Binding residue (original residue number in PDB): Y140 W222
• Binding residue (residue number reindexed from 1): Y128 W210
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008418 protein-N-terminal asparagine amidohydrolase activity
• GO:0070773 protein-N-terminal glutamine amidohydrolase activity

Biological Process

• GO:0030163 protein catabolic process

External links

• PDB: RCSB:5k62, PDBe:5k62, PDBj:5k62
• PDBsum: 5k62
• PubMed: 27791147
• UniProt: N1P8Q8