Structure of PDB 5k66 Chain A Binding Site BS02

Receptor Information

>5k66 Chain A (length=430) Species: 889517 (Saccharomyces cerevisiae CEN.PK113-7D)

TKLLVSLKVLVIQLNPQIGQVDQTIKRTWSILDKVTKSATYVKPDIILFP
EFALTGYSFHARKDILPYVTKKDEGPSFELAKSISEKFQCYTIIGYPEED
DEQKLYNSALVVNPQGGQIFNYRKTFLYDTEMNWDCEENPEGFQTFPMDF
SKCAKLSNEDSYNRDVTLKASIGISMDLSPYKFMAPFNHFEFSSFCVDNN
VELILCPMAWLNSTSITDKQTLHNNSLLEAAKNKIAFALKEQGLPLAGSQ
GIYQLKIGDSQRTPRVPSDDSTSEYKDMDEPDMSNVNYWILRFFPFLYFK
LRINWFKNSSLIESILGKTRMPLDHEYYKKHKDLLDSEEVIKDTVLEKTF
LGTSLGQPWKFQGKNAILVLANRCGTEDGTTIFAGSSGIYKFNGKKSSLD
SLNESVELLGNLGKGLEGAILREVQFEVFR

Ligand information

• Ligand ID: GLU
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
• SMILES:
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: GLUTAMIC ACID
• ChEMBL: CHEMBL575060
• DrugBank: DB00142
• ZINC: ZINC000001482113
• PDB chain: 5k66 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5k66 Structural basis for dual specificity of yeast N-terminal amidase in the N-end rule pathway.
• Resolution: 2.002 Å
• Binding residue (original residue number in PDB): Y140 W222 T229
• Binding residue (residue number reindexed from 1): Y128 W210 T217
• 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:5k66, PDBe:5k66, PDBj:5k66
• PDBsum: 5k66
• PubMed: 27791147
• UniProt: N1P8Q8