Structure of PDB 6v43 Chain B Binding Site BS01

Receptor Information
>6v43 Chain B (length=466) Species: 411684 (Hoeflea phototrophica DFL-43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMNIEALTAELDGIRIEDNEKIVQQKSRDFYWYSPLLKRQLDHVTGDLV
VSPKTEAELIRVLKACYRHEVPVTPRGTGTGNYGQAMPLSGGVVLSLADM
NDIREIKPGWVICGPGVICSDLDKAARAHSGQELRMHPSTYHTATVGGFI
AGGSGGIGSINWGGLRDFGNIIRLRVVTMEQEPQVLELTGEDLHKVTHAY
GTNGIITEIEMPLAPAYDWIDAMVGFDSFDTAAAYANALARQDGILTKLV
SVVAAPCPFDYFKRHQKFLKEGQSVVLVMVAAQSHDAFKAFSARSGGEII
FDATTAGDLKGLPPLFELSWNHTTLRALRVDPAWTYLQVLYPFPNQLELT
AKMDRMFPGELISHLEFVRFDGDITCFGLPLVKFTTDERLEEIMDLHNAN
GCPIFNPHRYTLEEGGMKQTDEIQLAFKREADPKGLLNPGKMIAWDDPDY
DFNSGKVWLFKGLKQA
Ligand information
Ligand IDLUZ
InChIInChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
InChIKeyUYEUUXMDVNYCAM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nccnc2N1
ACDLabs 10.04O=C2c1nccnc1NC(=O)N2
OpenEye OEToolkits 1.5.0c1cnc2c(n1)C(=O)NC(=O)N2
FormulaC6 H4 N4 O2
Namepteridine-2,4(1H,3H)-dione;
Lumazine;
2,4-dihydroxypteridine;
2,4-pteridinediol
ChEMBLCHEMBL1234104
DrugBank
ZINCZINC000000155664
PDB chain6v43 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6v43 A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway
Resolution1.77 Å
Binding residue
(original residue number in PDB)		G81 N82 Y83 G152 G153 S154
Binding residue
(residue number reindexed from 1)		G81 N82 Y83 G152 G153 S154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:6v43, PDBe:6v43, PDBj:6v43
PDBsum6v43
PubMed
UniProtA9D9D1

[Back to BioLiP]