Structure of PDB 5y1e Chain A Binding Site BS02

Receptor Information

>5y1e Chain A (length=308) Species: 743092 (uncultured archaeon MedDCM-OCT-S05-C57)

MILVTGALGQIGTELVLALQEKYGNDKIIASDLKEPENYHCKFEKCDIRD
IETYERINNENKIEIVYHLAAILSAAGEKNPELCHDVNYNGLENVLKTAK
KYNQKLFCPSSIAVFGPDVPKEMTPQNVELNPKTVYGITKVKGEELCDTY
FKEHGIDVRGIRYPGLISWKHKPSGGTTDYAVEMYFDAVESGKYECFVNR
NTRLPMMFMDDAIRATLELMDAPLDSLNYHSNYNLSSMSFSAEELEKEIS
AHVDFNCLYKPDYRQDIADTWPISINDDDARKDWGWEPKFDISKMTEEMI
TNLRRLNE

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 5y1e Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5y1e Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): S74 S111 Y136 G176 T177 T178
• Binding residue (residue number reindexed from 1): S74 S111 Y136 G176 T177 T178
• Annotation score: 2

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008743 L-threonine 3-dehydrogenase activity

Biological Process

• GO:0006567 threonine catabolic process

External links

• PDB: RCSB:5y1e, PDBe:5y1e, PDBj:5y1e
• PDBsum: 5y1e
• PubMed: 28992410
• UniProt: D6PBM7