Structure of PDB 5y1g Chain A Binding Site BS01

Receptor Information

>5y1g Chain A (length=310) Species: 743092 (uncultured archaeon MedDCM-OCT-S05-C57)

SHMILVTGALGQIGTELVLALQEKYGNDKIIASDLKEPENYHCKFEKCDI
RDIETYERINNENKIEIVYHLAAILSAAGEKNPELCHDVNYNGLENVLKT
AKKYNQKLFCPSSIAVFGPDVPKEMTPQNVELNPKTVYGITKVKGEELCD
TYFKEHGIDVRGIRYPGLISWKHKPSGGTTDYAVEMYFDAVESGKYECFV
NRNTRLPMMFMDDAIRATLELMDAPLDSLNYHSNYNLSSMSFSAEELEKE
ISAHVDFNCLYKPDYRQDIADTWPISINDDDARKDWGWEPKFDISKMTEE
MITNLRRLNE

Ligand information

• Ligand ID: AKB
• InChI: InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
• InChIKey: SAUCHDKDCUROAO-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=O)[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: CC(=O)C(C(=O)O)N
  CACTVS 3.341: CC(=O)[C@H](N)C(O)=O
  CACTVS 3.341: CC(=O)[CH](N)C(O)=O
  ACDLabs 10.04: O=C(C)C(N)C(=O)O
• Formula: C4 H7 N O3
• Name: 2-AMINO-3-KETOBUTYRIC ACID
• DrugBank: DB03915
• ZINC: ZINC000000901672
• PDB chain: 5y1g Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5y1g Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): S74 G176 T177 T178 W271
• Binding residue (residue number reindexed from 1): S76 G178 T179 T180 W273
• Annotation score: 5

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:5y1g, PDBe:5y1g, PDBj:5y1g
• PDBsum: 5y1g
• PubMed: 28992410
• UniProt: D6PBM7