Structure of PDB 7f2u Chain A Binding Site BS01

Receptor Information
>7f2u Chain A (length=322) Species: 393133 (Listeria monocytogenes 10403S) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMDQPYSKTDFLMGTVVTLKIYDKGKEDVLDKGFDRIKDLAAKITTSDSE
KTSEVDKINEQAGKKPVKVSEDVYYLIQEGLKYSENSGGSFDITIGPLTS
LWHIGFSDARKPSQAEIDAVLPLINYKDVKMNDKDQTVYLEKEGMELDLG
AIAKGFITDETLKVFKENKVTTSIIDLGGNIYVQGNNPNGNKWNVGIQDP
FSPRGSVIGKLPESNMSIVTSGIYERYLEVDGKTYHHILDPKTGYPFDND
IAGVSIVSKKSIDGDGLSTATFSKGIKGGMDYIEQFEGVDAIFISKEKKV
YETSGLKGQFELTDKDFQMDTL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7f2u Chain A Residue 401 [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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PDB7f2u Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
Resolution1.984 Å
Binding residue
(original residue number in PDB)		F127 D128 I131 D184 G186 A187 K190 H273 L275 T305
Binding residue
(residue number reindexed from 1)		F91 D92 I95 D148 G150 A151 K154 H237 L239 T269
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.1.180: FAD:protein FMN transferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0017013 protein flavinylation
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7f2u, PDBe:7f2u, PDBj:7f2u
PDBsum7f2u
PubMed35281791
UniProtA0A0H3GJF7

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