Structure of PDB 8erb Chain J Binding Site BS02

Receptor Information
>8erb Chain J (length=427) Species: 5127 (Fusarium fujikuroi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFQNFETLQLHAGYTPDPHTRSTAVPIYATSSYTFNDSAHGARLFGLKEL
GNIYSRLMNPTVDVFEKRIAALEGGIAAAATSSGQAAQFLTIATLAKAGD
NIVASSHLYGGTYNQLNVLLPRFGIKTKFVRSGKLEDYAAAIDDQTRAIY
VESMSNPDYVVPDFEGIAKIAHEHGIPLVVDNTLGAGGYYIRPIEHGADI
VVHSATKWIGGHGTTIGGVIVDSGRFNWNKHSDRFPEMVEPSPSYHGLKY
WEAFGPATFITRIRVEMLRDIGACLSPFSAQQLLLGIETLGLRAERHAQN
TEKLSKYFESSPNVSWVLWPGSESHPTYSQAKKYLTRGFGAMLSIGVKGD
ASAGSKVVDGLKLVSNLANVGDAKSLAIHPWSTTHEQLSEDERLASGVTE
DMIRISVGIEHVDDIIADFEQSFQKAY
Ligand information
Ligand IDWBJ
InChIInChI=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+
InChIKeyILCWREDNKMRIGC-GXDHUFHOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=C)C(=O)O)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN=C(C=C)C(O)=O)c1O
ACDLabs 12.01Cc1c(c(C/N=C(/C(O)=O)\C=C)c(COP(O)(O)=O)cn1)O
FormulaC12 H15 N2 O7 P
Name(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain8erb Chain J Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8erb Crystal structure of Fub7
Resolution1.98 Å
Binding residue
(original residue number in PDB)		G88 Q89 Q92 Y113 N160 D185 S208 T210 K211 N373 T388 R408
Binding residue
(residue number reindexed from 1)		G84 Q85 Q88 Y109 N156 D181 S204 T206 K207 N369 T384 R404
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8erb, PDBe:8erb, PDBj:8erb
PDBsum8erb
PubMed38308582
UniProtS0DUX5|FUB7_GIBF5 Sulfhydrylase FUB7 (Gene Name=FUB7)

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