Structure of PDB 6px2 Chain E Binding Site BS02

Receptor Information

>6px2 Chain E (length=332) Species: 45264 (Acropora millepora)

VKVGINGFGRIGRLVMRASLEHPEVQVVAVNDPFIDLEYMEYMFKYDSTH
GRFKGTTEVKDGKLVINGNPISVYALKDPAAIPWKEAGADFVVESTGVFT
TTEKASAHLHGGAKKVIISAPSADAPMFVMGVNEKTYDAATMNVVSNASC
TTNCLAPLAKVINDNFGIEEGLMTTIHAYTATQKTVDGPSGKKWRDGRGA
NQNVIPATTGAAKAVGKVIPELNGKLTGMAFRVPVPDVSVVDLTCRLKKP
TSYEEIKKVVKKASETDLKGFLAYTEDQVVSSDFISDTHSSVFDALAGIQ
LNPTFVKLVSWYDNEYGYSHRVVDLIEYMATK

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 6px2 Chain E Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6px2 to be submitted
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): S150 C151 T152 H178 T210
• Binding residue (residue number reindexed from 1): S149 C150 T151 H177 T209
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
• GO:0016491 oxidoreductase activity
• GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
• GO:0050661 NADP binding
• GO:0051287 NAD binding

Biological Process

• GO:0006006 glucose metabolic process
• GO:0006096 glycolytic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:6px2, PDBe:6px2, PDBj:6px2
• PDBsum: 6px2
• PubMed: 35423531
• UniProt: A0A3F2YLZ0