Structure of PDB 6etb Chain B Binding Site BS01

Receptor Information
>6etb Chain B (length=400) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIVVKNNIHWVGQRDWEVRDFHGTEYKTLRGSSYNSYLIREEKNVLIDTV
DHKFSREFVQNLRNEIDLADIDYIVINHAEEDHAGALTELMAQIPDTPIY
CTANAIDSINGHHHHPEWNFNVVKTGDTLDIGNGKQLIFVETPMLHWPDS
MMTYLTGDAVLFSNDAFGQHYCDEHLFNDEVDQTELFEQCQRYYANILTP
FSRLVTPKITEILGFNLPVDMIATSHGVVWRDNPTQIVELYLKWAADYQE
DRITIFYDTMYNNTRMMADAIAQGIAETDPRVAVKIFNVARSDKNEILTN
VFRSKGVLVGTSTMNNVMMPKIAGLVEEMTGLRFRNKRASAFGSHGWSGG
AVDRLSTRLQDAGFEMSLSLKAKWRPDQDALKLCREHGREIARQWALAPL
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain6etb 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

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PDB6etb A tyrosine mutation in E. coli flavodiiron protein increases radiation sensitivity in the crystal structure
Resolution1.905 Å
Binding residue
(original residue number in PDB)		T260 M261 Y262 N264 T265 S313 T314 N316 N317 S345 H346 G347 W348 G350 W375
Binding residue
(residue number reindexed from 1)		T259 M260 Y261 N263 T264 S312 T313 N315 N316 S344 H345 G346 W347 G349 W374
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016966 nitric oxide reductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6etb, PDBe:6etb, PDBj:6etb
PDBsum6etb
PubMed
UniProtQ46877|NORV_ECOLI Anaerobic nitric oxide reductase flavorubredoxin (Gene Name=norV)

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