Structure of PDB 8erb Chain J Binding Site BS01

Receptor Information

>8erb Chain J (length=427) Species: 5127 (Fusarium fujikuroi)

VFQNFETLQLHAGYTPDPHTRSTAVPIYATSSYTFNDSAHGARLFGLKEL
GNIYSRLMNPTVDVFEKRIAALEGGIAAAATSSGQAAQFLTIATLAKAGD
NIVASSHLYGGTYNQLNVLLPRFGIKTKFVRSGKLEDYAAAIDDQTRAIY
VESMSNPDYVVPDFEGIAKIAHEHGIPLVVDNTLGAGGYYIRPIEHGADI
VVHSATKWIGGHGTTIGGVIVDSGRFNWNKHSDRFPEMVEPSPSYHGLKY
WEAFGPATFITRIRVEMLRDIGACLSPFSAQQLLLGIETLGLRAERHAQN
TEKLSKYFESSPNVSWVLWPGSESHPTYSQAKKYLTRGFGAMLSIGVKGD
ASAGSKVVDGLKLVSNLANVGDAKSLAIHPWSTTHEQLSEDERLASGVTE
DMIRISVGIEHVDDIIADFEQSFQKAY

Ligand information

• Ligand ID: WBJ
• InChI: InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/b14-10+
• InChIKey: ILCWREDNKMRIGC-GXDHUFHOSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=C)C(=O)O)O
  OpenEye OEToolkits 2.0.7: Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O
  CACTVS 3.385: Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=C)C(O)=O)c1O
  ACDLabs 12.01: Cc1c(c(C/N=C(/C(O)=O)\C=C)c(COP(O)(O)=O)cn1)O
• Formula: C12 H15 N2 O7 P
• Name: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
• PDB chain: 8erb Chain I Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8erb Crystal structure of Fub7
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): Y58 R60
• Binding residue (residue number reindexed from 1): Y54 R56
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.-

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0019346 transsulfuration

External links

• PDB: RCSB:8erb, PDBe:8erb, PDBj:8erb
• PDBsum: 8erb
• PubMed: 38308582
• UniProt: S0DUX5|FUB7_GIBF5 Sulfhydrylase FUB7 (Gene Name=FUB7)